Corrosion protection of AISI 1018 steel using Co-doped TiO_2/polypyrrole nanocomposites in 3.5% NaCl solution

International Nuclear Information System (INIS)

Ladan, Magaji; Basirun, Wan Jeffrey; Kazi, Salim Newaz; Rahman, Fariza Abdul

2017-01-01

A polypyrrole nanocomposites (PPy NTCs) have been effectively synthesized in the presence of TiO_2 and Co-doped TiO_2 nanoparticles (NPs) by an in situ chemical oxidative polymerization. Field Emission Scanning Electron Microscopy and Transmission Electron Microscopy revealed a tube shape structure of the PPy. The TEM results confirmed that the nanocomposite size of Co-doped TiO_2/PPy NTCs was smaller than TiO_2/PPy NTCs thereby increasing the interaction between the PPy nanotube and the AISI steel surface. The corrosion performance of the coatings was evaluated by electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization measurements in 3.5% NaCl solution. The EIS results show that the log |Z| of AISI 1018 coated with Co-doped TiO_2/PPy NTCs and TiO_2/PPy NTCs reached about 8.2 and 6.0 respectively after 30 days of exposure in 3.5% NaCl solution. This is likely due to the increased surface area of the PPy synthesized in the presence of Co-doped TiO_2 NPs. The EIS results are confirmed by the potentiodynamic polarization and open circuit potential values of the Co-doped TiO_2/PPy which indicated little changes between 1 and 30 days of exposure which confirms the protection ability of this coating. . It is evident that the presence of Co-doped TiO_2 NPs can enhance the resistance against corrosion at the steel/electrolyte interface. - Highlights: • Polymerization of pyrrole monomer in the presence of Co-doped TiO_2 decreases the size of the polypyrrole nanotube (PPy NT). • The corrosion protection increases with the increase in PPy NT dispersion. • The corrosion resistance of steel coated with Co-doped TiO_2/PPy NTCs is considerably higher. • TiO_2/PPy with Co doping reduces the charge transfer across the electrolyte/AISI 1018 steel interface.

Continuous cooling and low temperature sensitization of AISI types 316 SS and 304 SS with different degrees of cold work

Energy Technology Data Exchange (ETDEWEB)

Parvathavarthini, N.; Dayal, R.K.; Gnanamoorthy, J.B. (Indira Gandhi Centre for Atomic Research, Kalpakkam (India). Metallurgy and Materials Programme); Seshadri, S.K. (Indian Inst. of Tech., Madras (India). Dept. of Metallurgical Engineering)

This paper presents the results of investigations carried out to study the sensitization behaviour of AISI Types 316 SS and 304 SS with various degrees of cold work ranging from 0 to 25%. Initially Time-Temperature-Sensitization (TTS) diagrams were established using ASTM standard A262 Practice A and E tests. From these diagrams it was found that the rate of sensitization and overall susceptibility to intergranular corrosion increases up to 15% cold work and above that starts decreasing. Desensitization was observed to be faster for higher levels of cold work, especially in the higher sensitization temperature range. From the TTS diagrams, the critical linear cooling rate below which sensitization occurs was calculated. From these data, Continuous Cooling Sensitization (CCS) diagrams were established. The results show that as the degree of cold work increases up to 15%, time needed for sensitization decreases and hence faster cooling rates must be used in order to avoid sensitization. At temperatures sufficiently below the nose temperature of the TTS diagram, log t versus 1/T plots follow a linear relationship where t is the time needed for the onset of sensitization at temperature T. From the slope, the apparent activation energy for sensitization was estimated. The validity of extrapolating these linear plots to lower temperatures (725 to 775 K) (which lie in the operating temperature regime of fast reactors) has been verified by experiment. The effect of heat treatment and microstructure on the Low Temperature Sensitization (LTS) behaviour was investigated. The results indicate that carbides of optimum size and distribution are the essential pre-requisites for LTS and cold work enhances susceptibility of stainless steels to LTS. (orig.).

Susceptibility to Stress Corrosion Cracking of 254SMO SS

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De Micheli Lorenzo

2002-01-01

Full Text Available The susceptibility to stress corrosion cracking (SCC of solubilized and sensitized 254SMO SS was studied in sodium chloride, and sodium fluoride solutions at 80 °C and sulfuric acid solutions in presence of sodium chloride at 25 °C. The influence of salt concentration, pH values and the addition of thiosulfate was examined. The susceptibility to SCC was evaluated by Slow Strain Rate Tests (SSRT, at 1.5 x 10-6 s-1 strain rate. The behavior of 254SMO was compared to those of AISI 316L SS and Hastelloy C276. 254SMO showed an excellent resistance to SCC in all conditions, except in the more acidic solutions (pH <= 1 where, in the sensitized conditions, intergranular stress corrosion cracking occurred.

Photolysis of H2O-H2O2 Mixtures: The Destruction of H2O2

Science.gov (United States)

Loeffler, M. J.; Fama, M.; Baragiola, R. A.; Carlson, R. W.

2013-01-01

We present laboratory results on the loss of H2O2 in solid H2O + H2O2 mixtures at temperatures between 21 and 145 K initiated by UV photolysis (193 nm). Using infrared spectroscopy and microbalance gravimetry, we measured the decrease of the 3.5 micrometer infrared absorption band during UV irradiation and obtained a photodestruction cross section that varies with temperature, being lowest at 70 K. We use our results, along with our previously measured H2O2 production rates via ionizing radiation and ion energy fluxes from the spacecraft to compare H2O2 creation and destruction at icy satellites by ions from their planetary magnetosphere and from solar UV photons. We conclude that, in many cases, H2O2 is not observed on icy satellite surfaces because the H2O2 photodestruction rate is much higher than the production rate via energetic particles, effectively keeping the H2O2 infrared signature at or below the noise level.

Corrosion protection of AISI 1018 steel using Co-doped TiO{sub 2}/polypyrrole nanocomposites in 3.5% NaCl solution

Energy Technology Data Exchange (ETDEWEB)

Ladan, Magaji, E-mail: ladanmagaji@yahoo.com [Department of Chemistry, Faculty of Science, University of Malaya, Kuala Lumpur, 50603 (Malaysia); Department of Pure and Industrial Chemistry, Bayero University Kano (Nigeria); Basirun, Wan Jeffrey, E-mail: jeff@um.edu.my [Department of Chemistry, Faculty of Science, University of Malaya, Kuala Lumpur, 50603 (Malaysia); Institute of Nanotechnology and Catalysis (NanoCat), University of Malaya, Kuala Lumpur, 50603 (Malaysia); Kazi, Salim Newaz; Rahman, Fariza Abdul [Department of Mechanical Engineering, Faculty of Engineering, University of Malaya, Kuala Lumpur, 50603 (Malaysia)

2017-05-01

A polypyrrole nanocomposites (PPy NTCs) have been effectively synthesized in the presence of TiO{sub 2} and Co-doped TiO{sub 2} nanoparticles (NPs) by an in situ chemical oxidative polymerization. Field Emission Scanning Electron Microscopy and Transmission Electron Microscopy revealed a tube shape structure of the PPy. The TEM results confirmed that the nanocomposite size of Co-doped TiO{sub 2}/PPy NTCs was smaller than TiO{sub 2}/PPy NTCs thereby increasing the interaction between the PPy nanotube and the AISI steel surface. The corrosion performance of the coatings was evaluated by electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization measurements in 3.5% NaCl solution. The EIS results show that the log |Z| of AISI 1018 coated with Co-doped TiO{sub 2}/PPy NTCs and TiO{sub 2}/PPy NTCs reached about 8.2 and 6.0 respectively after 30 days of exposure in 3.5% NaCl solution. This is likely due to the increased surface area of the PPy synthesized in the presence of Co-doped TiO{sub 2} NPs. The EIS results are confirmed by the potentiodynamic polarization and open circuit potential values of the Co-doped TiO{sub 2}/PPy which indicated little changes between 1 and 30 days of exposure which confirms the protection ability of this coating. . It is evident that the presence of Co-doped TiO{sub 2} NPs can enhance the resistance against corrosion at the steel/electrolyte interface. - Highlights: • Polymerization of pyrrole monomer in the presence of Co-doped TiO{sub 2} decreases the size of the polypyrrole nanotube (PPy NT). • The corrosion protection increases with the increase in PPy NT dispersion. • The corrosion resistance of steel coated with Co-doped TiO{sub 2}/PPy NTCs is considerably higher. • TiO{sub 2}/PPy with Co doping reduces the charge transfer across the electrolyte/AISI 1018 steel interface.

Corrosion and microstructural analysis data for AISI 316L and AISI 347H stainless steels after exposure to a supercritical water environment

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A. Ruiz

2016-06-01

Full Text Available This article presents corrosion data and microstructural analysis data of austenitic stainless steels AISI 316L and AISI 347H exposed to supercritical water (25 MPa, 550 °C with 2000 ppb of dissolved oxygen. The corrosion tests lasted a total of 1200 h but were interrupted at 600 h to allow measurements to be made. The microstructural data have been collected in the grain interior and at grain boundaries of the bulk of the materials and at the superficial oxide layer developed during the corrosion exposure.

Fabrication of nanoporous Sr incorporated TiO{sub 2} coating on 316L SS: Evaluation of bioactivity and corrosion protection

Energy Technology Data Exchange (ETDEWEB)

Anne Pauline, S. [Department of Chemistry, Anna University, Chennai 600025 (India); Kamachi Mudali, U. [Corrosion Science and Technology Section, IGCAR, Kalpakkam 603102 (India); Rajendran, N., E-mail: nrajendran@annauniv.edu [Department of Chemistry, Anna University, Chennai 600025 (India)

2013-10-01

In this paper, nanoporous TiO{sub 2} and Sr-incorporated TiO{sub 2} coated 316L SS were prepared by sol–gel methodology. The effect of Sr incorporation into TiO{sub 2} coating on bioactivity and corrosion resistance was investigated. Attenuated total reflectance–Fourier transform infrared (ATR–FTIR) spectroscopy, X-ray diffraction analysis (XRD), atomic force microscopy (AFM), scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDX) results obtained after in vitro bioactivity test confirm the excellent growth of crystalline hydroxyapatite (HAp) over nanoporous Sr-incorporated TiO{sub 2} coated 316L SS which may be attributed to the slow and steady release of Sr ions from the coatings. The electrochemical evaluation of the coatings confirms that Sr-incorporated TiO{sub 2} coating offer excellent protection to 316L SS by acting as a barrier layer. The results showed that the incorporation of Sr enhanced both bioactivity and corrosion resistance of 316L SS. Hence Sr-incorporated TiO{sub 2} coated 316L SS is a promising material for orthopaedic implant applications. - Highlights: • Nanoporous Sr-incorporated TiO{sub 2} coatings were successfully fabricated on 316L SS. • The coatings have excellent adhesion to the substrate and appreciable Vickers micro hardness value. • Sr-incorporated TiO{sub 2} coated specimens exhibited excellent hydroxyapatite growth due to slow release of Sr from the coating. • Sr incorporation enhances the corrosion resistance of TiO{sub 2} coating.

Partial substitution of vanadium by niobium in AISI H13 steel

International Nuclear Information System (INIS)

Itman Filho, A.; Balancin, O.

1987-01-01

The aim of this work was to study the tempering resistence in conditions of use of the AISI H13 steel, after partial substitution of vanadium by niobium. Four alloys of this steel were elaborated and in three of them the niobim was added in the contents of 0,2; 0,5 and 1,0%. Metallographic techniques were performed to compare qualitatively the niobium effect in several processing and thermal analisys of the steels. Grain size measurements were made after austenitization of the steels, hardness measurements in prepared samples were made after quenching and tempering, tensile testing at elevated temperature was investigated and yield strength, reduction of area after steel breaking and elongation were calculated. After these studies it was possible to certify that the partial substitution of vanadium by niobium did not alter significantly the basic mechanical properties of the AISI H13. (Author) [pt

Microstructure and corrosion behaviour of pulsed plasma-nitrided AISI H13 tool steel

International Nuclear Information System (INIS)

Basso, Rodrigo L.O.; Pastore, Heloise O.; Schmidt, Vanessa; Baumvol, Israel J.R.; Abarca, Silvia A.C.; Souza, Fernando S. de; Spinelli, Almir; Figueroa, Carlos A.; Giacomelli, Cristiano

2010-01-01

The effect of pulsed plasma nitriding temperature and time on the pitting corrosion behaviour of AISI H13 tool steel in 0.9% NaCl solutions was investigated by cyclic polarization. The pitting potential (E pit ) was found to be dependent on the composition, microstructure and morphology of the surface layers, whose properties were determined by X-ray diffraction and scanning electron microscopy techniques. The best corrosion protection was observed for samples nitrided at 480 o C and 520 o C. Under such experimental conditions the E pit -values shifted up to 1.25 V in the positive direction.

Improvement of Tribological Performance of AISI H13 Steel by Means of a Self-Lubricated Oxide-Containing Tribo-layer

Science.gov (United States)

Cui, Xianghong; Jin, Yunxue; Chen, Wei; Zhang, Qiuyang; Wang, Shuqi

2018-03-01

A self-lubricated oxide-containing tribo-layer was induced to form by continuously adding particles of MoS2, Fe2O3 or their mixtures onto sliding interfaces of AISI H13 and 52100 steels. The artificial tribo-layer was always noticed to form continuously and cover the worn surface (termed as cover-type), whereas the original tribo-layer spontaneously formed with no additive was usually discontinuous and inserted into the substrate (termed as insert-type). Clearly, the cover-type and insert-type tribo-layers exactly corresponded to low and high wear rates, respectively. For the mixed additives of Fe2O3 + MoS2, the protective tribo-layers presented a load-carrying capability and lubricative function, which are attributed to the existence of Fe2O3 and MoS2. Hence, the wear rates and friction coefficients of H13 steel were markedly reduced.

Corrosion Resistance Evaluation of Welded AISI 316 Stainless Steel by Electrochemical Method

International Nuclear Information System (INIS)

Baik, Shin Young; Kim, Kwan Hyu

1990-01-01

Electrochemical potentiokinetic polarization technique is known as quantitative, non-destructive and a rapid method for detecting sensitization and is essentially suitable for use in industrial fields and as laboratory research tools. In this study, electrochemical method was tested as a convenient means of the corrosion resistance evaluation for AISI 316L and 316 stainless steel(SS) and their welded sections. The sections were welded by TIG, MIG, CO 2 and ARC in 0.5N HCl as well as 1N H 2 SO 4 electrolyte with or without 0.01N KSCN. The results confirmed that electrochemical method could be used conveniently for corrosion resistance evaluation except reactivation aspect

Selection, Identification, and Binding Mechanism Studies of an ssDNA Aptamer Targeted to Different Stages of E. coli O157:H7.

Science.gov (United States)

Zou, Ying; Duan, Nuo; Wu, Shijia; Shen, Mofei; Wang, Zhouping

2018-06-06

Enterohemorrhagic Escherichia coli O157:H7 ( E. coli O157:H7) is known as an important food-borne pathogen related to public health. In this study, aptamers which could bind to different stages of E. coli O157:H7 (adjustment phase, log phase, and stationary phase) with high affinity and specificity were obtained by the whole cell-SELEX method through 14 selection rounds including three counter-selection rounds. Altogether, 32 sequences were obtained, and nine families were classified to select the optimal aptamer. To analyze affinity and specificity by flow cytometer, an ssDNA aptamer named Apt-5 was picked out as the optimal aptamer that recognizes different stages of E. coli O157:H7 specifically with the K d value of 9.04 ± 2.80 nM. In addition, in order to study the binding mechanism, target bacteria were treated by proteinase K and trypsin, indicating that the specific binding site is not protein on the cell membrane. Furthermore, when we treated E. coli O157:H7 with EDTA, the result showed that the binding site might be lipopolysaccharide (LPS) on the outer membrane of E. coli O157:H7.

Garlic and H2O2 in overcoming dormancy on the vine “Cabernet Sauvignon”

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Saavedra del Aguila Juan

2015-01-01

Full Text Available The objective of this experiment was to evaluate the effect of garlic extract, H2O2 and hydrogen cyanamide on dormancy break, budding and maturation of “Cabernet Sauvignon” in the Campaign Region – Brazil. In late winter 2014 and after drought pruning were performed spraying in the bud: T1 – distilled water (control; T2 – 3.0% of hydrogen cyanamide; T3 – 18.0% H2O2; and T4 – 3.0% garlic extract. It was evaluated in the field: the number of sprouted buds per plant, number of bunches per plant and weight of bunches per plant; and laboratory: on ripening, performed weekly from the color change of 360 berries per treatment for analyzes solids soluble – SS (Brix pH and titratable acidity – TA (% tartaric acid. It was observed that the vines of treatment T4 (3.0% garlic extract, showed higher percentage of buds sprouting (63 shoots plant−1. Already at the number of clusters and weight per plant, there were no statistical differences between all treatments. The results obtained in the laboratory to SS, pH and TA did not differ statistically for the four tested treatments.

New metal-organic frameworks of [M(C6H5O7)(C6H6O7)(C6H7O7)(H2O)] . H2O (M=La, Ce) and [Ce2(C2O4)(C6H6O7)2] . 4H2O

International Nuclear Information System (INIS)

Weng Shengfeng; Wang, Yun-Hsin; Lee, Chi-Shen

2012-01-01

Two novel materials, [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2), with a metal-organic framework (MOF) were prepared with hydrothermal reactions and characterized with photoluminescence, magnetic susceptibility, thermogravimetric analysis and X-ray powder diffraction in situ. The crystal structures were determined by single-crystal X-ray diffraction. Compound 1 crystallized in triclinic space group P1-bar (No. 2); compound 2 crystallized in monoclinic space group P2 1 /c (No. 14). The structure of 1 is built from a 1D MOF, composed of deprotonated citric ligands of three kinds. Compound 2 contains a 2D MOF structure consisting of citrate and oxalate ligands; the oxalate ligand arose from the decomposition in situ of citric acid in the presence of Cu II ions. Photoluminescence spectra of compounds 1b and 2 revealed transitions between the 5d 1 excited state and two levels of the 4f 1 ground state ( 2 F 5/2 and 2 F 7/2 ). Compounds 1b and 2 containing Ce III ion exhibit a paramagnetic property with weak antiferromagnetic interactions between the two adjacent magnetic centers. - Graphical Abstract: [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2)—with 1D and 2D structures were synthesized and characterized. Highlights: ► Two MOF – [M(C 6 H 5 O 7 )(C 6 H 6 O 7 )(C 6 H 7 O 7 )(H 2 O)] . H 2 O (M=La(1a), Ce(1b)) and [Ce 2 (C 2 O 4 )(C 6 H 6 O 7 ) 2 ] . 4H 2 O (2) – with 1D and 2D structures. ► The adjacent chains of the 1D framework were correlated with each other through an oxalate ligand to form a 2D layer structure. ► The source of the oxalate ligand was the decomposition in situ of citric acid oxidized in the presence of Cu II ions.

Atomic diffusion in laser surface modified AISI H13 steel

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Aqida, S. N.; Brabazon, D.; Naher, S.

2013-07-01

This paper presents a laser surface modification process of AISI H13 steel using 0.09 and 0.4 mm of laser spot sizes with an aim to increase surface hardness and investigate elements diffusion in laser modified surface. A Rofin DC-015 diffusion-cooled CO2 slab laser was used to process AISI H13 steel samples. Samples of 10 mm diameter were sectioned to 100 mm length in order to process a predefined circumferential area. The parameters selected for examination were laser peak power, pulse repetition frequency (PRF), and overlap percentage. The hardness properties were tested at 981 mN force. Metallographic study and energy dispersive X-ray spectroscopy (EDXS) were performed to observe presence of elements and their distribution in the sample surface. Maximum hardness achieved in the modified surface was 1017 HV0.1. Change of elements composition in the modified layer region was detected in the laser modified samples. Diffusion possibly occurred for C, Cr, Cu, Ni, and S elements. The potential found for increase in surface hardness represents an important method to sustain tooling life. The EDXS findings signify understanding of processing parameters effect on the modified surface composition.

Effect of Low-Temperature Sensitization on the Corrosion Behavior of AISI Type 304L SS Weld Metal in Simulated Groundwater

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Suresh, Girija; Nandakumar, T.; Viswanath, A.

2018-05-01

The manuscript presents the investigations carried out on the effect of low-temperature sensitization (LTS) of 304L SS weld metal on its corrosion behavior in simulated groundwater, for its application as a canister material for long-term storage of nuclear vitrified high-level waste in geological repositories. AISI type 304L SS weld pad was fabricated by multipass gas tungsten arc welding process using 308L SS filler wire. The as-welded specimens were subsequently subjected to carbide nucleation and further to LTS at 500 °C for 11 days to simulate a temperature of 300 °C for 100-year life of the canister in geological repositories. Delta ferrite ( δ-ferrite) content of the 304L SS weld metal substantially decreased on carbide nucleation treatment and further only a marginal decrease occurred on LTS treatment. The microstructure of the as-welded consisted of δ-ferrite as a minor phase distributed in austenite matrix. The δ-ferrite appeared fragmented in the carbide-nucleated and LTS-treated weld metal. The degree of sensitization measured by double-loop electrochemical potentokinetic reactivation method indicated an increase in carbide nucleation treatment when compared to the as-welded specimens, and further increase occurred on LTS treatment. Potentiodynamic anodic polarization investigations in simulated groundwater indicated a substantial decrease in the localized corrosion resistance of the carbide-nucleated and LTS 304L SS weld metals, when compared to the as-welded specimens. Post-experimental micrographs indicated pitting as the primary mode of attack in the as-welded, while pitting and intergranular corrosion (IGC) occurred in the carbide-nucleated weld metal. LTS-treated weld metal predominantly underwent IGC attack. The decrease in the localized corrosion resistance of the weld metal after LTS treatment was found to have a direct correlation with the degree of sensitization and the weld microstructure. The results are detailed in the manuscript.

Effect of Low-Temperature Sensitization on the Corrosion Behavior of AISI Type 304L SS Weld Metal in Simulated Groundwater

Science.gov (United States)

Suresh, Girija; Nandakumar, T.; Viswanath, A.

2018-04-01

The manuscript presents the investigations carried out on the effect of low-temperature sensitization (LTS) of 304L SS weld metal on its corrosion behavior in simulated groundwater, for its application as a canister material for long-term storage of nuclear vitrified high-level waste in geological repositories. AISI type 304L SS weld pad was fabricated by multipass gas tungsten arc welding process using 308L SS filler wire. The as-welded specimens were subsequently subjected to carbide nucleation and further to LTS at 500 °C for 11 days to simulate a temperature of 300 °C for 100-year life of the canister in geological repositories. Delta ferrite (δ-ferrite) content of the 304L SS weld metal substantially decreased on carbide nucleation treatment and further only a marginal decrease occurred on LTS treatment. The microstructure of the as-welded consisted of δ-ferrite as a minor phase distributed in austenite matrix. The δ-ferrite appeared fragmented in the carbide-nucleated and LTS-treated weld metal. The degree of sensitization measured by double-loop electrochemical potentokinetic reactivation method indicated an increase in carbide nucleation treatment when compared to the as-welded specimens, and further increase occurred on LTS treatment. Potentiodynamic anodic polarization investigations in simulated groundwater indicated a substantial decrease in the localized corrosion resistance of the carbide-nucleated and LTS 304L SS weld metals, when compared to the as-welded specimens. Post-experimental micrographs indicated pitting as the primary mode of attack in the as-welded, while pitting and intergranular corrosion (IGC) occurred in the carbide-nucleated weld metal. LTS-treated weld metal predominantly underwent IGC attack. The decrease in the localized corrosion resistance of the weld metal after LTS treatment was found to have a direct correlation with the degree of sensitization and the weld microstructure. The results are detailed in the manuscript.

Microstructure and Mechanical Properties of Laser Clad and Post-cladding Tempered AISI H13 Tool Steel

Science.gov (United States)

Telasang, Gururaj; Dutta Majumdar, Jyotsna; Wasekar, Nitin; Padmanabham, G.; Manna, Indranil

2015-05-01

This study reports a detailed investigation of the microstructure and mechanical properties (wear resistance and tensile strength) of hardened and tempered AISI H13 tool steel substrate following laser cladding with AISI H13 tool steel powder in as-clad and after post-cladding conventional bulk isothermal tempering [at 823 K (550 °C) for 2 hours] heat treatment. Laser cladding was carried out on AISI H13 tool steel substrate using a 6 kW continuous wave diode laser coupled with fiber delivering an energy density of 133 J/mm2 and equipped with a co-axial powder feeding nozzle capable of feeding powder at the rate of 13.3 × 10-3 g/mm2. Laser clad zone comprises martensite, retained austenite, and carbides, and measures an average hardness of 600 to 650 VHN. Subsequent isothermal tempering converted the microstructure into one with tempered martensite and uniform dispersion of carbides with a hardness of 550 to 650 VHN. Interestingly, laser cladding introduced residual compressive stress of 670 ± 15 MPa, which reduces to 580 ± 20 MPa following isothermal tempering. Micro-tensile testing with specimens machined from the clad zone across or transverse to cladding direction showed high strength but failure in brittle mode. On the other hand, similar testing with samples sectioned from the clad zone parallel or longitudinal to the direction of laser cladding prior to and after post-cladding tempering recorded lower strength but ductile failure with 4.7 and 8 pct elongation, respectively. Wear resistance of the laser surface clad and post-cladding tempered samples (evaluated by fretting wear testing) registered superior performance as compared to that of conventional hardened and tempered AISI H13 tool steel.

Corrosion behavior of plasma sprayed hydroxyapatite and hydroxyapatite-silicon oxide coatings on AISI 304 for biomedical application

International Nuclear Information System (INIS)

Singh, Gurpreet; Singh, Hazoor; Sidhu, Buta Singh

2013-01-01

The objective of this study is to evaluate corrosion resistance of plasma sprayed hydroxyapatite (HA) and HA-silicon oxide (SiO 2 ) coated AISI 304 substrates. In HA-SiO 2 coatings, 10 wt% SiO 2 and 20 wt% SiO 2 was mixed with HA. The feedstock and coatings were characterized by X-ray diffraction and scanning electron microscopy/energy dispersive X-ray spectroscopy. The corrosion resistance was determined for the uncoated and coated samples. The corrosion resistance of the AISI 304 was found more after the deposition of the HA-SiO 2 coatings rather than HA coating and uncoated. All the coatings were crack free after 24 h dipping in Ringer's solution for electrochemical corrosion testing.

Characterization, Corrosion Resistance, and Cell Response of High-Velocity Flame-Sprayed HA and HA/TiO2 Coatings on 316L SS

Science.gov (United States)

Singh, Tejinder Pal; Singh, Harpreet; Singh, Hazoor

2012-09-01

The main aim of this study is to evaluate corrosion and biocompatibility behavior of thermal spray hydroxyapatite (HA) and hydroxyapatite/titania bond (HA/TiO2)-coated 316L stainless steel (316L SS). In HA/TiO2 coatings, TiO2 was used as a bond coat between HA top coat and 316L SS substrate. The coatings were characterized by x-ray diffraction and scanning electron microscopy/energy dispersive spectroscopy, and corrosion resistance determined for the uncoated substrate and the two coatings. The biological behavior was investigated by the cell culture studies using osteosarcoma cell line KHOS-NP (R-970-5). The corrosion resistance of the steel was found to increase after the deposition of the HA and HA/TiO2 bond coatings. Both HA, as well as, HA/TiO2 coatings exhibit excellent bond strength of 49 and 47 MPa, respectively. The cell culture studies showed that HA-coated 316L SS specimens appeared more biocompatible than the uncoated and HA/TiO2-coated 316L SS specimens.

Neuroprotective and antioxidant activities of bamboo salt soy sauce against H2O2-induced oxidative stress in rat cortical neurons.

Science.gov (United States)

Jeong, Jong Hee; Noh, Min-Young; Choi, Jae-Hyeok; Lee, Haiwon; Kim, Seung Hyun

2016-04-01

Bamboo salt (BS) and soy sauce (SS) are traditional foods in Asia, which contain antioxidants that have cytoprotective effects on the body. The majority of SS products contain high levels of common salt, consumption of which has been associated with numerous detrimental effects on the body. However, BS may be considered a healthier substitute to common salt. The present study hypothesized that SS made from BS, known as bamboo salt soy sauce (BSSS), may possess enhanced cytoprotective properties; this was evaluated using a hydrogen peroxide (H 2 O 2 )-induced neuronal cell death rat model. Rat neuronal cells were pretreated with various concentrations (0.001, 0.01, 0.1, 1 and 10%) of BSSS, traditional soy sauce (TRSS) and brewed soy sauce (BRSS), and were subsequently exposed to H 2 O 2 (100 µM). The viability of neuronal cells, and the occurrence of DNA fragmentation, was subsequently examined. Pretreatment of neuronal cells with TRSS and BRSS reduced cell viability in a concentration-dependent manner, whereas neuronal cells pretreated with BSSS exhibited increased cell viability, as compared with non-treated neuronal cells. Furthermore, neuronal cells pretreated with 0.01% BSSS exhibited the greatest increase in viability. Exposure of neuronal cells to H 2 O 2 significantly increased the levels of reactive oxygen species (ROS), B-cell lymphoma 2-associated X protein, poly (ADP-ribose), cleaved poly (ADP-ribose) polymerase, cytochrome c , apoptosis-inducing factor, cleaved caspase-9 and cleaved caspase-3, in all cases. Pretreatment of neuronal cells with BSSS significantly reduced the levels of ROS generated by H 2 O 2 , and increased the levels of phosphorylated AKT and phosphorylated glycogen synthase kinase-3β. Furthermore, the observed effects of BSSS could be blocked by administration of 10 µM LY294002, a phosphatidylinositol 3-kinase inhibitor. The results of the present study suggested that BSSS may exert positive neuroprotective effects against H 2 O 2

Enhanced photocathodic protection performance of Ag/graphene/TiO2 composite for 304SS under visible light

Science.gov (United States)

Li, Hong; Wang, Xiutong; Wei, Qinyi; Liu, Xueqing; Qian, Zhouhai; Hou, Baorong

2017-06-01

Ag and graphene co-sensitized TiO2 composites were successfully fabricated and used as photoanodes for photogenerated cathodic protection of 304 stainless steel (304SS) under visible light. Graphene films was firstly deposited onto the TiO2 nanotube (NT) films via cyclic voltammetric electrodeposition. Ag/graphene/TiO2 films were then fabricated via dipping and photoreduction method. The morphology, composition and optical response of the Ag/graphene/TiO2 NT composites were characterized by scanning electron microscopy, x-ray diffraction, x-ray photoelectron spectroscopy, UV-vis diffusion reflectance spectroscopy, respectively. The photocathodic protection performance of the Ag/graphene/TiO2 composites were systematically studied through open-circuit potential and potentiodynamic polarization measurements in 3.5 wt% NaCl solution under visible light (λ > 400 nm). The composites exhibited enhanced photogenerated cathodic protection performance for 304SS under visible light irradiation compared to pure TiO2. Graphene and Ag have a synergistic effect on the enhancement of photocathodic protection performance of TiO2. The composites prepared with 30-cycle graphene film and 15 mM AgNO3 solution showed the optimal corrosion protection performance.

Study of the solubility, viscosity and density in Na+, Zn2+/Cl− − H2O, Na+ − Zn2+ − (H2PO2)− − H2O, Na+, Cl−/(H2PO2)− − H2O, and Zn2+, Cl−/(H2PO2)− − H2O ternary systems, and in Na+, Zn2+/Cl−, (H2PO2)−//H2O reciprocal quaternary system at 273.15 K

International Nuclear Information System (INIS)

Adiguzel, Vedat; Erge, Hasan; Alisoglu, Vahit; Necefoglu, Hacali

2014-01-01

Highlights: • The physicochemical properties of ternary and one quaternary have been studied. • Reciprocal quaternary systems’ solubility and phase equilibrium have been studied. • In all systems the solid phases have been found. • It was found that Zn(H 2 PO 2 ) 2 salt contains 70% of the general crystallization field. - Abstract: The solubility and the physicochemical properties (density, viscosity) in the Na-Zn- Cl-H 2 O), (Na + Zn + H 2 PO 2 + H 2 O), (Na + Cl + H 2 PO 2 + H 2 O), and (Zn + Cl + H 2 PO 2 + H 2 O) ternaries, and in Na + , Zn 2+ /Cl − , (H 2 PO 2 ) − //H 2 O reciprocal quaternary systems at T = 273.15 K were investigated by using the isothermal method. The diagrams of ternary salts systems, (NaCl + ZnCl 2 + H 2 O), (NaCl + NaH 2 PO 2 + H 2 O), (NaH 2 PO 2 + Zn(H 2 PO 2 ) 2 + H 2 O), (ZnCl 2 + Zn(H 2 PO 2 ) 2 + H 2 O), are plotted in figures 1–4. However, whole ions of reciprocal quaternary salt systems are plotted in figure 5. Additionally, the density and viscosity values of ternary systems vs. their corresponding composition values in weight per cent are plotted in figures 6–10. At the (i) (ZnCl 2 + Zn(H 2 PO 2 ) 2 + H 2 O), (ii) (NaCl + ZnCl 2 + H 2 O), (iii) (NaCl + NaH 2 PO 2 + H 2 O), (iv) (NaH 2 PO 2 + Zn(H 2 PO 2 ) 2 + H 2 O) ternary systems the solid phase compositions have been determined as: (i) Zn(H 2 PO 2 ) 2 ⋅ H 2 O, Zn(H 2 PO 2 ) 2 , ZnCl 2 ⋅ 2H 2 O, (ii) NaCl, 2NaCl ⋅ ZnCl 2 ⋅ 2H 2 O, and ZnCl 2 ⋅ 2H 2 O, (iii) NaCl and NaH 2 PO 2 ⋅ H 2 O, (iv) Zn(H 2 PO 2 ) 2 ⋅ H 2 O and NaH 2 PO 2 ⋅ H 2 O, respectively. On the other hand reciprocal quaternary system was observed as: ZnCl 2 ⋅ 2H 2 O, 2NaCl ⋅ ZnCl 2 ⋅ 2H 2 O, Zn(H 2 PO 2 ) 2 ⋅ H 2 O, NaH 2 PO 2 ⋅ H 2 O, NaCl. According to results, the least soluble salt was Zn(H 2 PO 2 ) 2 . The crystallization field of this salt, being the largest in comparison with those of other salts, occupied 70% of the general crystallization field

Design of H3PW12O40/TiO2 nano-photocatalyst for efficient photocatalysis under simulated sunlight irradiation

International Nuclear Information System (INIS)

Zhao, Kun; Lu, Ying; Lu, Nan; Zhao, Yahui; Yuan, Xing; Zhang, Hao; Teng, Lianghui; Li, Fu

2013-01-01

H 3 PW 12 O 40 /TiO 2 (PW 12 /TiO 2 ) nano-photocatalyst was successfully synthesized through a modified sol–gel-hydrothermal method. The X-ray diffraction (XRD) patterns, Fourier transform infrared (FT-IR) spectra, UV–vis diffuse reflectance spectrum (UV–vis DRS), and N 2 adsorption–desorption isotherms were characterized respectively to investigate the physical and chemical properties of prepared catalysts. Under simulated sunlight (320 nm 12 /TiO 2 . The results showed that the pollutants degradation followed first-order kinetics, and the kinetic constants of photocatalytic degradation of fuchsin acid, malachite green and PNP were 2.82, 4.66, and 3.48 times as great as that using pristine TiO 2 , respectively. The high pollutants degradation efficiency was ascribed to the synergistic effect between H 3 PW 12 O 40 and TiO 2 , which resulted in enhanced quantum efficiency and high light harvesting efficiency. We believe this work could provide new insights into the fabrication of photocatalyst with high photocatalytic performance and facilitate their practical application in environmental issues.

Betaine Phosphate (CH3)3N+CH2COO-.H3PO4 Modification Using D2O

International Nuclear Information System (INIS)

Saryati; Ridwan; Deswita; Sugiantoro, Sugik

2002-01-01

Betaine fosfate (CH 3 ) 3 N + CH 2 COO - .H 3 PO 4 modification by using D 2 O has been studied. This modification was carried out by slowly evaporation the saturated Betaine phosphat in the D 2 O solution in the dry box at 40 o C, until the dry crystal were formed. Based on the NMR data, can be concluded that the exchange process with D has been runed well and Betaine phosphate-D (CH 3 ) 3 N + CH 2 COO - .H 3 PO 4 has been resulted. From the X-ray diffraction pattern data can be concluded that there are a deference in the crystal structure between Betaine phosphate and Betaine phosphate modification result. From the Differential Scanning Colorimeter (DSC) diagram at the range temperature from 30 o C to 250 o C, can be shown that the Betaine phosphate-H has two endothermic transition phase, at 99 o C with a very little adsorbed calor and at 221.50 o C with -26.75 cal/g. Modified Betaine phosphate has also two endothermic transition phase, at 99.86 o C with -1.94 cal/g and at 171.01 o C with -3.48 cal/g. It can be conclosed that the D atom substitution on the H atoms in Betaine phosphate, to change the crystal and the endothermic fase temperature and energy

Corrosion Performance of AISI-309 Exposed to Molten Salts V2O5-Na2SO4 at 700°C Applying EIS and Rp Electrochemical Techniques

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E. F. Diaz

2015-01-01

Full Text Available The corrosion performance of AISI-309 exposed 5 days to molten salts 50 mol% V2O5-50 mol% Na2SO4 at 700°C is reported in this paper. Such evaluation was made using three electrochemical techniques: potentiodynamic polarization curve (PC, electrochemical impedance spectroscopy (EIS, and linear polarization resistance (Rp. From PC, the Tafel slopes, Icorr, and Ecorr were obtained. From Nyquist and Bode plots, it was possible to determine two different stages; the first one showed just one loop, which indicated the initial formation of Cr2O3 layer over the metallic surface; after that, the dissolution of Cr2O3 formed a porous layer, which became part of the corrosion products; at the same time a NiO layer combined with sulfur was forming, which was suggested as the second stage, represented by two capacitive loops. EIS plots were in agreement with the physical characterization made from SEM and EDS analyses. Fitting of EIS experimental data allowed us to propose two electrical circuits, being in concordance with the corrosion stages. Parameters obtained from the simulation of EIS data are also reported. From the results, it was stated that AISI-309 suffered intergranular corrosion due to the presence of sulfur, which diffused to the metallic surface through a porous Cr2O3 layer.

Synthesis and structure of [(NH2)2CSSC(NH2)2]2[OsBr6]Br2 . 3H2O

International Nuclear Information System (INIS)

Rudnitskaya, O. V.; Kultyshkina, E. K.; Stash, A. I.; Glukhova, A. A.; Venskovskii, N. U.

2008-01-01

The complex [(NH 2 ) 2 CSSC(NH 2 ) 2 ] 2 [OsBr 6 ]Br 2 . 3H 2 O is synthesized by the reaction of K 2 OsBr 6 with thiocarbamide in concentrated HBr and characterized using electronic absorption and IR absorption spectroscopy. Its crystal structure is determined by X-ray diffraction. The crystals are orthorhombic, a = 11.730(2) A, b = 14.052(3) A, c = 16.994(3) A, space group Cmcm, and Z = 4. The [OsBr 6 ] 2- anionic complex has an octahedral structure. The Os-Br distances fall in the range 2.483-2.490 A. The α,α'-dithiobisformamidinium cation is a product of the oxidation of thiocarbamide. The S-S and C-S distances are 2.016 and 1.784 A, respectively. The H 2 O molecules, Br - ions, and NH 2 groups of the cation are linked by hydrogen bonds.

Degradation kinetics and mechanism of β-lactam antibiotics by the activation of H2O2 and Na2S2O8 under UV-254 nm irradiation

International Nuclear Information System (INIS)

He, Xuexiang; Mezyk, Stephen P.; Michael, Irene; Fatta-Kassinos, Despo; Dionysiou, Dionysios D.

2014-01-01

Graphical abstract: - Highlights: • Removal efficiency was comparable at different UV fluence rates but same fluence. • Reducing pH to 3 or 2 did not inhibit the removal of nitrobenzene by UV/S 2 O 8 2− . • 1.84 × 10 −14 M [HO • ] ss and 3.10 × 10 −13 M [SO 4 • − ] ss in UV/S 2 O 8 2− were estimated. • HO • reacted faster with the β-lactams than SO 4 • − but sharing similar byproducts. • Transformation pathways included hydroxylation, hydrolysis and decarboxylation. - Abstract: The extensive production and usage of antibiotics have led to an increasing occurrence of antibiotic residuals in various aquatic compartments, presenting a significant threat to both ecosystem and human health. This study investigated the degradation of selected β-lactam antibiotics (penicillins: ampicillin, penicillin V, and piperacillin; cephalosporin: cephalothin) by UV-254 nm activated H 2 O 2 and S 2 O 8 2− photochemical processes. The UV irradiation alone resulted in various degrees of direct photolysis of the antibiotics; while the addition of the oxidants improved significantly the removal efficiency. The steady-state radical concentrations were estimated, revealing a non-negligible contribution of hydroxyl radicals in the UV/S 2 O 8 2− system. Mineralization of the β-lactams could be achieved at high UV fluence, with a slow formation of SO 4 2− and a much lower elimination of total organic carbon (TOC). The transformation mechanisms were also investigated showing the main reaction pathways of hydroxylation (+16 Da) at the aromatic ring and/or the sulfur atom, hydrolysis (+18 Da) at the β-lactam ring and decarboxylation (–44 Da) for the three penicillins. Oxidation of amine group was also observed for ampicillin. This study suggests that UV/H 2 O 2 and UV/S 2 O 8 2− advanced oxidation processes (AOPs) are capable of degrading β-lactam antibiotics decreasing consequently the antibiotic activity of treated waters

An experimental analysis of process parameters to manufacture micro-channels in AISI H13 tempered steel by laser micro-milling

Science.gov (United States)

Teixidor, D.; Ferrer, I.; Ciurana, J.

2012-04-01

This paper reports the characterization of laser machining (milling) process to manufacture micro-channels in order to understand the incidence of process parameters on the final features. Selection of process operational parameters is highly critical for successful laser micromachining. A set of designed experiments is carried out in a pulsed Nd:YAG laser system using AISI H13 hardened tool steel as work material. Several micro-channels have been manufactured as micro-mold cavities varying parameters such as scanning speed (SS), pulse intensity (PI) and pulse frequency (PF). Results are obtained by evaluating the dimensions and the surface finish of the micro-channel. The dimensions and shape of the micro-channels produced with laser-micro-milling process exhibit variations. In general the use of low scanning speeds increases the quality of the feature in both surface finishing and dimensional.

Effect of mechanical activation on jell boronizing treatment of the AISI 4140

Science.gov (United States)

Yılmaz, S. O.; Karataş, S.

2013-06-01

The article presents the effect of mechanical activation on the growth kinetics of boride layer of boronized AISI 4140 steel. The samples were boronized by ferroboron + (SiO2-Na2O) powders for 873-1173 K temperature and 2, 4, 6 and 8 h times, respectively. The morphology and types of borides formed on the surface of AISI 4140 steel substrate were analyzed. Layer growth kinetics were analyzed by measuring the extent of penetration of FeB and Fe2B sublayers as function of treatment time and temperature in the range of 873-1173 K. High diffusivity was obtained by creating a large number of defects through mechanical activation in the form of nanometer sized crystalline particles through the repeated fracturing and cold-welding of the powder particles, and a depth of 100 μm was found in the specimen borided by the 2 h MA powders, for 4 h and 1073 K, where 2000-2350 HV were measured. Consequently, the application conditions of boronizing were improved by usage of mechanical activation. The preferred Fe2B boride without FeB could be formed in the boride layer under 973 K boronizing temperature by mechanically activated by ferroboron + sodium silicate powder mixture due to the decrease of the activation energy.

The effect of inhibitor sodium nitrate on pitting corrosion of dissimilar material weldment joint of stainless steel AISI 304 and mild steel SS 400

Energy Technology Data Exchange (ETDEWEB)

Hilca, B. R., E-mail: bangkithilca@yahoo.com; Triyono, E-mail: triyonomesin@uns.ac.id [Mechanical Engineering Department, Sebelas Maret University, Surakarta 57126 (Indonesia)

2016-03-29

This study experimentally evaluated the effect of Sodium Nitrate inhibitor (NaNO{sub 3}) of 0.1%, 0.3%, and 0.5% on NaCl 3.5% toward pitting corrosion of dissimilar metal welding joint between stainless steel AISI 304 and mild steel SS 400. Electrochemical corrosion was tested using potentiodynamic polarization. Further the Scanning Electron Microscope (SEM) conducted to analyze the specimen. Chemical composition analysis used Energy Dispersive X-ray Spectrometry (EDS). The highest efficiency of sodium nitrate for ER 308 attained 63.8% and 64.89%for ER 309L. The specimen surface which observed through SEM showed decrease of pitting corrosion respectively with the addition of sodium nitrate content as inhibitor.

Sintering, microstructure and properties of WC-AISI304 powder composites

International Nuclear Information System (INIS)

Marques, B.J.; Fernandes, C.M.; Senos, A.M.R.

2013-01-01

Highlights: ► Total replacement of Co binder by stainless steel AISI 304 in WC based composites. ► Processing conditions for WC–stainless steel composites. ► Mechanical behavior and oxidation resistance of WC–stainless steel composites. -- Abstract: Tungsten carbide–stainless steel (AISI 304) based composites were successfully prepared by powder metallurgy routes using vacuum sintering at a maximum temperature of 1500 °C. The effects of the binder amount (between 6 and 15 wt.%) on the phase composition, microstructure and mechanical properties, namely hardness and fracture toughness, were investigated. Appreciable amount of (M,W) 6 C up to 12 wt.% was detected, especially for the higher SS contents. However, a good compromise between toughness and hardness was observed. Besides that, improved oxidation resistance was noticed in WC–SS based composites compared with WC–Co composites. The results are discussed having in mind the correlation between chemical composition, phase composition, microstructure and mechanical behavior

CATALIZADOR ESTRUCTURADO DE Pt/Al2O3 SOBRE UNA ESPUMA DE ACERO INOXIDABLE (AISI 314 PARA LA OXIDACIÓN DE CO

Directory of Open Access Journals (Sweden)

Juan P. Bortolozzi

2011-01-01

Full Text Available Se obtuvo un catalizador estructurado por recubrimiento de Pt/Al2O3 sobre las paredes de una espuma de acero inoxidable AISI 314. Para estabilizar térmicamente e incrementar la rugosidad de la superficie de la espuma original se realizó un tratamiento a 900°C por 2 h. El soporte, Al2O3, y el metal activo, Pt, se incorporaron por inmersión. Las técnicas de caracterización aplicadas, XRD, LRS y SEM-EDX, permiten concluir que el tratamiento térmico previo indujo la formación de óxido de cromo y de las espinelas Mn1+xCr2-xO4-x y FeCr2O4 como fases principales en las paredes del sustrato. El espesor de la capa formada es cercano a 1 μm y los cristales producidos tienen forma octaédrica. El cubrimiento de alúmina presentó en general una apariencia homogénea, sin interacción con los óxidos formados durante el tratamiento. El Pt se distribuyó de manera uniforme, resultando un catalizador muy activo para la reacción test elegida: oxidación de monóxido de carbono.

H2-H2O-HI Hydrogen Separation in H2-H2O-HI Gaseous Mixture Using the Silica Membrane

International Nuclear Information System (INIS)

Pandiangan, Tumpal

2002-01-01

It was evaluated aiming at the application for hydrogen iodide decomposition in the thermochemical lS process. Porous alumina tube having pore size of 0.1 μm was modified by chemical vapor deposition using tetraethoxysilane. The permeance single gas of He, H 2 , and N 2 was measured at 300-600 o C. Hydrogen permeance of the modified membrane at a permeation temperature of 600 o C was about 5.22 x 10 -08 mol/Pa m 2 s, and 3.2 x 10 -09 of using gas mixture of H 2 -H 2 O-HI, where as HI permeances was below 1 x 10 -10 mol/Pa m 2 s. The Hydrogen permeance relative was not changed after 25 hours exposure in a mixture of H 2 -H 2 O-HI gas at the temperature of 450 o C. (author)

Structure of the hDmc1-ssDNA filament reveals the principles of its architecture.

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Andrei L Okorokov

Full Text Available In eukaryotes, meiotic recombination is a major source of genetic diversity, but its defects in humans lead to abnormalities such as Down's, Klinefelter's and other syndromes. Human Dmc1 (hDmc1, a RecA/Rad51 homologue, is a recombinase that plays a crucial role in faithful chromosome segregation during meiosis. The initial step of homologous recombination occurs when hDmc1 forms a filament on single-stranded (ss DNA. However the structure of this presynaptic complex filament for hDmc1 remains unknown. To compare hDmc1-ssDNA complexes to those known for the RecA/Rad51 family we have obtained electron microscopy (EM structures of hDmc1-ssDNA nucleoprotein filaments using single particle approach. The EM maps were analysed by docking crystal structures of Dmc1, Rad51, RadA, RecA and DNA. To fully characterise hDmc1-DNA complexes we have analysed their organisation in the presence of Ca2+, Mg2+, ATP, AMP-PNP, ssDNA and dsDNA. The 3D EM structures of the hDmc1-ssDNA filaments allowed us to elucidate the principles of their internal architecture. Similar to the RecA/Rad51 family, hDmc1 forms helical filaments on ssDNA in two states: extended (active and compressed (inactive. However, in contrast to the RecA/Rad51 family, and the recently reported structure of hDmc1-double stranded (ds DNA nucleoprotein filaments, the extended (active state of the hDmc1 filament formed on ssDNA has nine protomers per helical turn, instead of the conventional six, resulting in one protomer covering two nucleotides instead of three. The control reconstruction of the hDmc1-dsDNA filament revealed 6.4 protein subunits per helical turn indicating that the filament organisation varies depending on the DNA templates. Our structural analysis has also revealed that the N-terminal domain of hDmc1 accomplishes its important role in complex formation through domain swapping between adjacent protomers, thus providing a mechanistic basis for coordinated action of hDmc1 protomers

Aluminum coating by fluidized bed chemical vapor deposition on austenitic stainless steels AISI 304 and AISI 316

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Jose Luddey Marulanda-Arevalo

2015-01-01

Full Text Available Los revestimientos de aluminio f ueron depositados sobre aceros inoxidables AISI 304 y AISI 316 en el rango de temperatura de 5 60 a 600 °C por deposición química de vapor en lecho fluidizado(CVD – FBR. Se utilizó un lecho que consistía en 10 % de aluminio en polvo y 90 % de lecho inerte (alúmina, el cual fue fluidizado con Ar y como ga ses activadores se utilizó una mezcla de ácido clorhídrico con hidrógeno (HCl/H 2 . En el recubrimiento si n tratamiento térmico están las siguiente s especies: Al 13 Fe 4 , Fe 2 Al 5 , FeAl 2 y Al 5 FeNi, las cuales están presentes para ambos aceros. Además, el tratamiento térmico provoca la difusa de alu minio hacia el sustrato y la difusa de hierro del sustrato haci a la superficie del recubrimiento, haciendo la trans formación de los compuestos ant eriores a FeAl, Fe 2 Al 5 , FeAl 2 , Al 0.99 Fe 0.99 Ni 0.02 , AlNi y el Fe 2 AlCr. Se realizó la simulación termodinámica con el s oftware Thermo Calc para obt ener información de la posible composición y la cantidad de mat erial depositado, para condiciones seleccionadas. Las muestras recubi ertas y sin recubrir, se expus ieron a 750 ºC en una atmósfera d onde el vapor agua se transporta a las muestras usando un flujo de N 2 de 40 ml/min, más 100 % vapor de agua (H 2 O. Los dos sustratos sin revestir se comportaron de manera diferente, ya que el acero AISI 304 soportó bien el a taque y ganó poco peso (0.49 mg/cm 2 , en comparación con el acero AISI 316 que perdió mucho peso (25.4 mg/cm 2 . Los aceros recubiertos ganaron poco de peso durante las mil horas de exposición (0.26 mg/cm 2 y soportaron muy bien el ataque corrosivo en c omparación con sustratos sin r ecubrimiento.

SS 383: A NEW S-TYPE YELLOW SYMBIOTIC STAR?

Energy Technology Data Exchange (ETDEWEB)

Baella, N. O.; Pereira, C. B. [Observatório Nacional, Rua José Cristino 77, CEP 20921-400, São Cristóvão, Rio de Janeiro (Brazil); Miranda, L. F. [Departamento de Física Aplicada, Facultad de Ciencias, Universidad de Vigo, E-36310 Vigo (Spain)

2013-11-01

Symbiotic stars are key objects in understanding the formation and evolution of interacting binary systems, and are probably the progenitors of Type Ia supernovae. However, the number of known symbiotic stars is much lower than predicted. We aim to search for new symbiotic stars, with particular emphasis on the S-type yellow symbiotic stars, in order to determine their total population, evolutionary timescales, and physical properties. The Two Micron All Sky Survey (2MASS) (J – H) versus (H – K {sub s}) color-color diagram has been previously used to identify new symbiotic star candidates and show that yellow symbiotics are located in a particular region of that diagram. Candidate symbiotic stars are selected on the basis of their locus in the 2MASS (J – H) versus (H – K {sub s}) diagram and the presence of Hα line emission in the Stephenson and Sanduleak Hα survey. This diagram separates S-type yellow symbiotic stars from the rest of the S-type symbiotic stars, allowing us to select candidate yellow symbiotics. To establish the true nature of the candidates, intermediate-resolution spectroscopy is obtained. We have identified the Hα emission line source SS 383 as an S-type yellow symbiotic candidate by its position in the 2MASS color-color diagram. The optical spectrum of SS 383 shows Balmer, He I, He II, and [O III] emission lines, in combination with TiO absorption bands that confirm its symbiotic nature. The derived electron density (≅10{sup 8-9} cm{sup –3}), He I emission line intensity ratios, and position in the [O III] λ5007/Hβ versus [O III] λ4363/Hγ diagram indicate that SS 383 is an S-type symbiotic star, with a probable spectral type of K7-M0 deduced for its cool component based on TiO indices. The spectral type and the position of SS 383 (corrected for reddening) in the 2MASS color-color diagram strongly suggest that SS 383 is an S-type yellow symbiotic. Our result points out that the 2MASS color-color diagram is a powerful tool in

SS 383: A NEW S-TYPE YELLOW SYMBIOTIC STAR?

International Nuclear Information System (INIS)

Baella, N. O.; Pereira, C. B.; Miranda, L. F.

2013-01-01

Symbiotic stars are key objects in understanding the formation and evolution of interacting binary systems, and are probably the progenitors of Type Ia supernovae. However, the number of known symbiotic stars is much lower than predicted. We aim to search for new symbiotic stars, with particular emphasis on the S-type yellow symbiotic stars, in order to determine their total population, evolutionary timescales, and physical properties. The Two Micron All Sky Survey (2MASS) (J – H) versus (H – K s ) color-color diagram has been previously used to identify new symbiotic star candidates and show that yellow symbiotics are located in a particular region of that diagram. Candidate symbiotic stars are selected on the basis of their locus in the 2MASS (J – H) versus (H – K s ) diagram and the presence of Hα line emission in the Stephenson and Sanduleak Hα survey. This diagram separates S-type yellow symbiotic stars from the rest of the S-type symbiotic stars, allowing us to select candidate yellow symbiotics. To establish the true nature of the candidates, intermediate-resolution spectroscopy is obtained. We have identified the Hα emission line source SS 383 as an S-type yellow symbiotic candidate by its position in the 2MASS color-color diagram. The optical spectrum of SS 383 shows Balmer, He I, He II, and [O III] emission lines, in combination with TiO absorption bands that confirm its symbiotic nature. The derived electron density (≅10 8-9 cm –3 ), He I emission line intensity ratios, and position in the [O III] λ5007/Hβ versus [O III] λ4363/Hγ diagram indicate that SS 383 is an S-type symbiotic star, with a probable spectral type of K7-M0 deduced for its cool component based on TiO indices. The spectral type and the position of SS 383 (corrected for reddening) in the 2MASS color-color diagram strongly suggest that SS 383 is an S-type yellow symbiotic. Our result points out that the 2MASS color-color diagram is a powerful tool in identifying new S

Susceptibility to stress corrosion in stainless steels type AISI 321 and 12X18H10T used in PWR type reactors (WWER); Susceptibilidad a la corrosion bajo esfuerzo de barras de acero inoxidable AISI 321 y 12X18H10T en ambientes utilizados en reactores VVER

Energy Technology Data Exchange (ETDEWEB)

Matadamas C, N

1996-12-31

Titanium stabilized stainless steels have been utilized in sovietic pressurized water reactors (VVER) for avoid the susceptibility to Intergranular Corrosion (IGC) present in other austenitic stainless steels. However the Intergranular Corrosion resistance of this kind of materials has been questioned because of Intergranular Stress Corrosion Cracking failures (IGSCC) have been reported. This paper study the electrochemical behavior of the AISI 321 stainless steel in a H{sub 3}BO{sub 3} Solution contaminated with chlorides and its susceptibility to Intergranular Corrosion.Electrochemical prediction diagrams of the stainless steels AISI 321 and 12X18H10T (sovietic) sensitized (600 Centigrade, 3 h.) were compared. Cylindrical and conical samples were used in Slow Strain Rate Tests (SSRT), to determine the susceptibility to Stress Corrosion Cracking (SCC) in AISI 321 and 12X18H10T stainless steels. The results obtained showed that the temperature of the solution is a very important factor to detect this susceptibility. Fractography studies on the fracture surfaces of the samples obtained in the SSRT at high temperature were realized. Corrosion velocities of both AISI 321 and 12X18H10T stainless steels were determined using conical samples in the CERT system at high temperature. E.D.A.X. analysis was employed in both AISI 321 and 12X18H10T stainless steels in order to explain the degree of sensitization. (Author).

(Solid + liquid) phase equilibria of (Ca(H2PO2)2 + CaCl2 + H2O) and (Ca(H2PO2)2 + NaH2PO2 + H2O) ternary systems at T = 323.15 K

International Nuclear Information System (INIS)

Cao, Hong-yu; Zhou, Huan; Bai, Xiao-qin; Ma, Ruo-xin; Tan, Li-na; Wang, Jun-min

2016-01-01

Graphical abstract: Solubility diagram of the (Ca(H 2 PO 2 ) 2 + NaH 2 PO 2 + H 2 O) system at T = (323.15 and 298.15) K. - Highlights: • Phase diagrams of Ca 2+ -H 2 PO 2 − -Cl − -H 2 O, Ca 2+ -Na + -H 2 PO 2 − -H 2 O at 323.15 K were obtained. • Incompatible double salt of NaCa(H 2 PO 2 ) 3 in Ca 2+ -Na + -H 2 PO 2 − -H 2 O system was determined. • Density diagram of the corresponding liquid were simultaneously measured. - Abstract: Calcium hypophosphite has been widely used as an anti-corrosive agent, flame retardant, fertilizer, assistant for Ni electroless plating, and animal nutritional supplement. High purity calcium hypophosphite can be synthesized via the replacement reaction of sodium hypophosphite and calcium chloride. In this work, the (solid + liquid) phase equilibria of (Ca(H 2 PO 2 ) 2 + CaCl 2 + H 2 O) and (Ca(H 2 PO 2 ) 2 + NaH 2 PO 2 + H 2 O) ternary systems at T = 323.15 K were studied experimentally via the classical isothermal solubility equilibrium method, and the phase diagrams for these two systems were obtained. It was found that two solid salts of CaCl 2 ·2H 2 O and Ca(H 2 PO 2 ) 2 exist in the (Ca(H 2 PO 2 ) 2 + CaCl 2 + H 2 O) system, and three salts of Ca(H 2 PO 2 ) 2 , NaH 2 PO 2 ·H 2 O and one incompatible double salt, NaCa(H 2 PO 2 ) 3 occur in the (Ca(H 2 PO 2 ) 2 + NaH 2 PO 2 + H 2 O) system.

Effect of mechanical activation on jell boronizing treatment of the AISI 4140

International Nuclear Information System (INIS)

Yılmaz, S.O.; Karataş, S.

2013-01-01

The article presents the effect of mechanical activation on the growth kinetics of boride layer of boronized AISI 4140 steel. The samples were boronized by ferroboron + (SiO 2 –Na 2 O) powders for 873–1173 K temperature and 2, 4, 6 and 8 h times, respectively. The morphology and types of borides formed on the surface of AISI 4140 steel substrate were analyzed. Layer growth kinetics were analyzed by measuring the extent of penetration of FeB and Fe 2 B sublayers as function of treatment time and temperature in the range of 873–1173 K. High diffusivity was obtained by creating a large number of defects through mechanical activation in the form of nanometer sized crystalline particles through the repeated fracturing and cold-welding of the powder particles, and a depth of 100 μm was found in the specimen borided by the 2 h MA powders, for 4 h and 1073 K, where 2000–2350 HV were measured. Consequently, the application conditions of boronizing were improved by usage of mechanical activation. The preferred Fe 2 B boride without FeB could be formed in the boride layer under 973 K boronizing temperature by mechanically activated by ferroboron + sodium silicate powder mixture due to the decrease of the activation energy.

Effect of mechanical activation on jell boronizing treatment of the AISI 4140

Energy Technology Data Exchange (ETDEWEB)

Yılmaz, S.O., E-mail: osyilmaz@firat.edu.tr [F.U. Engineering Faculty, Metallurgical and Material Science, 23119 Elazığ (Turkey); Karataş, S. [F.U. Engineering Faculty, Metallurgical and Material Science, 23119 Elazığ (Turkey)

2013-06-15

The article presents the effect of mechanical activation on the growth kinetics of boride layer of boronized AISI 4140 steel. The samples were boronized by ferroboron + (SiO{sub 2}–Na{sub 2}O) powders for 873–1173 K temperature and 2, 4, 6 and 8 h times, respectively. The morphology and types of borides formed on the surface of AISI 4140 steel substrate were analyzed. Layer growth kinetics were analyzed by measuring the extent of penetration of FeB and Fe{sub 2}B sublayers as function of treatment time and temperature in the range of 873–1173 K. High diffusivity was obtained by creating a large number of defects through mechanical activation in the form of nanometer sized crystalline particles through the repeated fracturing and cold-welding of the powder particles, and a depth of 100 μm was found in the specimen borided by the 2 h MA powders, for 4 h and 1073 K, where 2000–2350 HV were measured. Consequently, the application conditions of boronizing were improved by usage of mechanical activation. The preferred Fe{sub 2}B boride without FeB could be formed in the boride layer under 973 K boronizing temperature by mechanically activated by ferroboron + sodium silicate powder mixture due to the decrease of the activation energy.

DFT Calculation of IR Absorption Spectra for PCE-nH2O, TCE-nH2O, DCE-nH2O, VC-nH2O for Small and Water-Dominated Molecular Clusters

Science.gov (United States)

2017-10-31

VC-nH2O for Small and Water-Dominated Molecular Clusters October 31, 2017 Approved for public release; distribution is unlimited. L. Huang S.g...Calculation of IR Absorption Spectra for PCE-nH2O, TCE-nH2O, DCE-nH2O, VC-nH2O for Small and Water-Dominated Molecular Clusters L. Huang,1 S.G...nH2O molecular clusters using density function theory (DFT). DFT can provide interpretation of absorption spectra with respect to molecular

High-temperature entropy of anionic model for the phase transition in SnCl2.2H2O

International Nuclear Information System (INIS)

Freitas, L.C. de; Salinas, S.R.

1975-01-01

The basic model of the phase transition in the hydrogen-bonded layered crystal SnCl 2 .2H 2 O to account for the presence of ionic defects is modified. It is easy to obtain a series expansion for the high-temperature entropy of the ionic model in terms of closed subgraphs, with vertices of degree two, of the original three-coordinated 4-8 lattice. High-temperature entropy of the ionic model is shown to be identical to the residual entropy of a simple antiferromagnetic Ising model in a 3-4-8 lattice. This latter model can be solved exact by a set of transformations which lead to a well studied Ising model in a Union Jack lattice [pt

Coordination polymers of scandium sulfate. Crystal structures of (H2Bipy)[Sc(H2O)(SO4)2]2·2H2O and (H2Bipy)[HSO4]2

International Nuclear Information System (INIS)

Petrosyants, S.P.; Ilyukhin, A.B.

2005-01-01

Compounds with general formula Cat x [Sc(H 2 O) z (SO 4 ) y ]·nH 2 O (Cat=NH 4 , H 2 Bipy (Bipy - 4,4'-bipyridine), HEdp (Edp - ethylene dipyridine)) identified on element analysis data and IR spectra are synthesized. X-ray diffraction analysis of (H 2 Bipy)[Sc(H 2 O)(SO 4 ) 2 ] 2 ·2H 2 O shows that in structure of the compound chains of ScO 6 octahedron and SO 4 tetrahedrons are joined in bands by tridentate coordination of sulfate ions. Bands form skeleton in endless emptiness of which there are H 2 Bipy 2+ cations [ru

Removal of Organic Dyes from Industrial Wastewaters Using UV/H2O2, UV/H2O2/Fe (II, UV/H2O2/Fe (III Processes

Directory of Open Access Journals (Sweden)

Nezamaddin Daneshvar

2007-03-01

Full Text Available UV/H2O2, UV/H2O2/Fe (II and UV/H2O2/Fe (III processes are very effective in removing pollutants from wastewater and can be used for treatment of dyestuff units wastewaters. In this study, Rhodamine B was used as a typical organic dye. Rhodamine B has found wide applications in wax, leather, and paper industries. The results from this study showed that this dye was degradable in the presence of hydrogen peroxide under UV-C irradiation (30W mercury light and Photo-Fenton process. The dye was resistant to UV irradiation. In the absence of UV irradiation, the decolorization efficiency was very negligible in the presence of hydrogen. The effects of different system variables such as initial dye concentration, duration of UV irradiation, and initial hydrogen peroxide concentration were investigated in the UV/H2O2 process. Investigation of the kinetics of the UV/H2O2 process showed that the semi-log plot of the dye concentration versus time was linear, suggesting a first order reaction. It was found that Rhodamine B decolorization efficiencies in the UV/H2O2/Fe (II and UV/H2O2/Fe (III processes were higher than that in the UV/H2O2 process. Furthermore, a solution containing 20 ppm of Rhodamine B was decolorized in the presence 18 mM of H2O2 under UV irradiation for 15 minutes. It was also found that addition of 0.1 mM Fe(II or Fe(III to the solution containing  20  ppm of the dye and 5 mM H2O2 under UV light  illumination decreased removal time to 10 min.

Vibrational spectroscopy of NO + (H2O)n: Evidence for the intracluster reaction NO + (H2O)n --> H3O + (H2O)n - 2 (HONO) at n => 4

Science.gov (United States)

Choi, Jong-Ho; Kuwata, Keith T.; Haas, Bernd-Michael; Cao, Yibin; Johnson, Matthew S.; Okumura, Mitchio

1994-05-01

Infrared spectra of mass-selected clusters NO+(H2O)n for n=1 to 5 were recorded from 2700 to 3800 cm-1 by vibrational predissociation spectroscopy. Vibrational frequencies and intensities were also calculated for n=1 and 2 at the second-order Møller-Plesset (MP2) level, to aid in the interpretation of the spectra, and at the singles and doubles coupled cluster (CCSD) level energies of n=1 isomers were computed at the MP2 geometries. The smaller clusters (n=1 to 3) were complexes of H2O ligands bound to a nitrosonium ion NO+ core. They possessed perturbed H2O stretch bands and dissociated by loss of H2O. The H2O antisymmetric stretch was absent in n=1 and gradually increased in intensity with n. In the n=4 clusters, we found evidence for the beginning of a second solvation shell as well as the onset of an intracluster reaction that formed HONO. These clusters exhibited additional weak, broad bands between 3200 and 3400 cm-1 and two new minor photodissociation channels, loss of HONO and loss of two H2O molecules. The reaction appeared to go to completion within the n=5 clusters. The primary dissociation channel was loss of HONO, and seven vibrational bands were observed. From an analysis of the spectrum, we concluded that the n=5 cluster rearranged to form H3O+(H2O)3(HONO), i.e., an adduct of the reaction products.

Ab initio studies of O-2(-) (H2O)(n) and O-3(-) (H2O)(n) anionic molecular clusters, n

DEFF Research Database (Denmark)

Bork, Nicolai Christian; Kurten, T.; Enghoff, Martin Andreas Bødker

2011-01-01

that anionic O-2(-)(H2O)n and O-3(-)(H2O)n clusters are thermally stabilized at typical atmospheric conditions for at least n = 5. The first 4 water molecules are strongly bound to the anion due to delocalization of the excess charge while stabilization of more than 4 H2O is due to normal hydrogen bonding....... Although clustering up to 12 H2O, we find that the O-2 and O-3 anions retain at least ca. 80 % of the charge and are located at the surface of the cluster. The O-2(-) and O-3(-) speicies are thus accessible for further reactions. We consider the distributions of cluster sizes as function of altitude before...

Evaluation of the corrosion resistance of AISI 316 stainless steel filters

Directory of Open Access Journals (Sweden)

Luzinete Pereira Barbosa

2005-06-01

Full Text Available In this investigation, the corrosion resistance of AISI 316 SS filters prepared with powders in the size ranges 74-44 µm and 210-105 µm and compacted with pressures of 300 MPa and 400 MPa has been evaluated in naturally aerated 0.5 M H2SO4 solution at 25 °C. Weight loss of filters manufactured with compacting pressure of 400 MPa were significantly higher than that of filters compacted at 300 MPa. The filter compacted at 400 MPa had higher carbon and nitrogen contents compared to those compacted at 300 MPa. The former also had chromium rich precipitates and oxides in the grain boundaries. The pores in filters compacted at 400 MPa were smaller than in filters compacted at 300 MPa. Smaller pores favor the formation of concentration cells and consequently, increased crevice corrosion.

Squeeze Casting Method Of AI-Si Alloy For Piston Material

International Nuclear Information System (INIS)

Wagiyo, H.; Dani, Muhammad; Sulistioso, G.S.; Pardede, Elman; Handayani, Ari; Teguh, Yulius S.P.P.

2001-01-01

The AI-Si alloy is an alloy used as piston material. This alloys could be as AI-Si hypereutectic alloy (Si content more than 12.5 % wt.), as AI-Si eutectic alloy (Si cuntent 12.5 % wt, and as AI-Si hypoeutectic alloy (Si content less than 12.5 % wt.). The synthesize of AI-Si alloy piston generally using the technique of gravity casting in a dies. This method is causing high porousity. By using the squeeze technique, amount ofporousity in AI-Si alloy is possibly reduced and the density of this alloy should be higher. The other factors such as alloying elements of AI-Si alloy (Mg. Cu, Zn) would increase the mechanical properties especially the hardness. The focuses of this research are the microstructure and the maximum hardness during the heat treatment of AI-Si alloy which was added by alloying elments. The result of hardness at test shows the maximum hardness at 94.7 kg/mm 2 obtained at aging temperature of 210 o C for hours with homogenous dendritic microstructure

Synthesis of Nanoscale CaO-Al2O3-SiO2-H2O and Na2O-Al2O3-SiO2-H2O Using the Hydrothermal Method and Their Characterization

Directory of Open Access Journals (Sweden)

Jingbin Yang

2017-06-01

Full Text Available C-A-S-H (CaO-Al2O3-SiO2-H2O and N-A-S-H (Na2O-Al2O3-SiO2-H2O have a wide range of chemical compositions and structures and are difficult to separate from alkali-activated materials. Therefore, it is difficult to analyze their microscopic properties directly. This paper reports research on the synthesis of C-A-S-H and N-A-S-H particles with an average particle size smaller than 300 nm by applying the hydrothermal method. The composition and microstructure of the products with different CaO(Na2O/SiO2 ratios and curing conditions were characterized using XRD, the RIR method, FTIR, SEM, TEM, and laser particle size analysis. The results showed that the C-A-S-H system products with a low CaO/SiO2 ratio were mainly amorphous C-A-S-H gels. With an increase in the CaO/SiO2 ratio, an excess of Ca(OH2 was observed at room temperature, while in a high-temperature reaction system, katoite, C4AcH11, and other crystallized products were observed. The katoite content was related to the curing temperature and the content of Ca(OH2 and it tended to form at a high-temperature and high-calcium environment, and an increase in the temperature renders the C-A-S-H gels more compact. The main products of the N-A-S-H system at room temperature were amorphous N-A-S-H gels and a small amount of sodalite. An increase in the curing temperature promoted the formation of the crystalline products faujasite and zeolite-P. The crystallization products consisted of only zeolite-P in the high-temperature N-A-S-H system and its content were stable above 70%. An increase in the Na2O/SiO2 ratio resulted in more non-bridging oxygen and the TO4 was more isolated in the N-A-S-H structure. The composition and microstructure of the C-A-S-H and N-A-S-H system products synthesized by the hydrothermal method were closely related to the ratio of the raw materials and the curing conditions. The results of this study increase our understanding of the hydration products of alkali

Wear behavior of niobium carbide coated AISI 52100 steel

International Nuclear Information System (INIS)

Fernandes, Frederico Augusto Pires; Casteletti, Luiz Carlos; Oliveira, Carlos Kleber Nascimento de; Lombardi Neto, Amadeu; Totten, George Edward

2010-01-01

Bearing steels must have high hardness, good wear resistance and dimensional stability. The aim of this work was to study the effect of NbC coating, produced using the thermo-reactive deposition (TRD) process, on the wear resistance of the AISI 52100 steel. Untreated AISI 52100 samples were ground up to 600 mesh emery paper. The bath was composed of 5wt.% ferroniobium (65 wt.% Nb), 3wt.% aluminum and (Na2B4O7) to 100%. Samples were treated at 1000 deg C for 4h and quenched in oil directly from the bath. The resulting layer was characterized by X-ray diffraction, scanning electron microscopy and a micro-abrasive wear testing. The thermo-reactive deposition process in molten borax produced a hard and homogeneous layer composed by NbC, which was confirmed by X-ray diffraction. The NbC coating produced a great increase in the wear resistance of the AISI 52100 steel, decreasing the wear rate by an order of magnitude in relation to the substrate. For coated and uncoated samples the worn volume and wear rate increases with the load. (author)

Thermal decomposition of (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}·2H{sub 2}O: Influence on structure, microstructure and hydrofluorination

Energy Technology Data Exchange (ETDEWEB)

Thomas, R. [Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille (France); Hall de Recherche de Pierrelatte, AREVA NC, BP 16, 26701 Pierrelatte (France); Rivenet, M., E-mail: murielle.rivenet@ensc-lille.fr [Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille (France); Berrier, E. [Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille (France); Waele, I. de [Université de Lille, CNRS, UMR 8516 – LASIR - Laboratoire de Spectrochimie Infrarouge et Raman, F-59000 Lille (France); Arab, M.; Amaraggi, D.; Morel, B. [Hall de Recherche de Pierrelatte, AREVA NC, BP 16, 26701 Pierrelatte (France); Abraham, F. [Univ. Lille, CNRS, Centrale Lille, ENSCL, Univ. Artois, UMR 8181 - UCCS - Unité de Catalyse et Chimie du Solide, F-59000 Lille (France)

2017-01-15

The thermal decomposition of uranyl peroxide tetrahydrate, (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}.2H{sub 2}O, was studied by combining high temperature powder X-ray diffraction, scanning electron microscopy, thermal analyses and spectroscopic techniques (Raman, IR and {sup 1}H NMR). In situ analyses reveal that intermediates and final uranium oxides obtained upon heating are different from that obtained after cooling at room temperature and that the uranyl precursor used to synthesize (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}·2H{sub 2}O, sulfate or nitrate, has a strong influence on the peroxide thermal behavior and morphology. The decomposition of (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}·2H{sub 2}O ex sulfate is pseudomorphic and leads to needle-like shaped particles of metastudtite, (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}, and UO{sub 3-x}(OH){sub 2x}·zH{sub 2}O, an amorphous phase found in air in the following of (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2} dehydration. (UO{sub 2})O{sub 2}(H{sub 2}O){sub 2}·2H{sub 2}O and the compounds resulting from its thermal decomposition are very reactive towards hydrofluorination as long as their needle-like morphology is kept.

Systems Li2B4O7 (Na2B4O7, K2B4O7)-N2H3H4OH-H2O at 25 deg C

International Nuclear Information System (INIS)

Skvortsov, V.G.; Sadetdinov, Sh.V.; Akimov, V.M.; Mitrasov, Yu.N.; Petrova, O.V.; Klopov, Yu.N.

1994-01-01

Phase equilibriums in the Li 2 B 4 O 7 (Na 2 B 4 O 7 , K 2 B 4 O 7 )-N 2 H 3 H 4 OH-H 2 O systems were investigated by methods of isothermal solubility, refractometry and PH-metry at 25 deg C for the first time. Lithium and sodium tetraborates was established to form phases of changed composition mM 2 B 4 O 7 ·nN 2 H 3 C 2 H 4 OH·XH 2 O, where M=Li, Na with hydrazine ethanol. K 2 B 4 O 7 ·4H 2 O precipitates in solid phase in the case of potassium salt. Formation of isomorphous mixtures was supported by X-ray diffraction and IR spectroscopy methods

Effect of the Ultrasonic Nanocrystalline Surface Modification (UNSM on Bulk and 3D-Printed AISI H13 Tool Steels

Directory of Open Access Journals (Sweden)

In-Sik Cho

2017-11-01

Full Text Available A comparative study of the microstructure, hardness, and tribological properties of two different AISI H13 tool steels—classified as the bulk with no heat treatment steel or the 3D-printed steel—was undertaken. Both samples were subjected to ultrasonic nanocrystalline surface modification (UNSM to further enhance their mechanical properties and improve their tribological behavior. The objective of this study was to compare the mechanical properties and tribological behavior of these tool steels since steel can exhibit a wide variety of mechanical properties depending on different manufacturing processes. The surface hardness of the samples was measured using a micro-Vickers hardness tester. The hardness of the 3D-printed AISI H13 tool steel was found to be much higher than that of the bulk one. The surface morphology of the samples was characterized by electron backscattered diffraction (EBSD in order to analyze the grain size and number of fractions with respect to the misorientation angle. The results revealed that the grain size of the 3D-printed AISI H13 tool steel was less than 0.5 μm, whereas that of the bulk tool steel was greater than 4 μm. The number of fractions of the bulk tool steel was about 0.5 μm at a low misorientation angle, and it decreased gradually with increasing misorientation angle. The low-angle grain boundary (LAGB and high-angle grain boundary (HAGB of the bulk sample were about 21% and 79%, respectively, and those of the 3D-printed sample were about 8% and 92%, respectively. Moreover, the friction and wear behavior of the UNSM-treated AISI H13 tool steel specimen was better than those of the untreated one. This study demonstrated the capability of 3D-printed AISI H13 tool steel to exhibit excellent mechanical and tribological properties for industrial applications.

P348

CERN Multimedia

The P348 Collaboration preformed test measurements in the H4 SPS beam line during a period of 2 weeks in September-October. The measurements were designed with two main objectives. The first was to test the new detector components such as Micromegas and straw tube tracker, high-energy electron tagging system, ECAL, and HCAL. The second was to explore the feasibility of searching for invisible decays of dark photons in the sub- GeV mass range. Here we report various results of the test measurements. The main outcome of the run is that by using simple selection criteria, without good track definition, we reject background in the signal region down to the level of a few ×10−$^{8}$ per incident electron. As we do not see any other issues that represent fundamental problems for the experiment, our conclusion is that after small modifications the P348 detector is ready to start data taking in the year 2016. We recall that the A‘ with a mass in sub-GeV range is still one of the favorable explanation of the muon...

Redetermination of Ce[B5O8(OH(H2O]NO3·2H2O

Directory of Open Access Journals (Sweden)

Ya-Xi Huang

2012-05-01

Full Text Available The crystal structure of Ce[B5O8(OH(H2O]NO3·2H2O, cerium(III aquahydroxidooctaoxidopentaborate nitrate dihydrate, has been redetermined from single-crystal X-ray diffraction data. In contrast to the previous determination [Li et al. (2003. Chem. Mater. 15, 2253–2260], the present study reveals the location of all H atoms, slightly different fundamental building blocks (FBBs of the polyborate anions, more reasonable displacement ellipsoids for all non-H atoms, as well as a model without disorder of the nitrate anion. The crystal structure is built from corrugated polyborate layers parallel to (010. These layers, consisting of [B5O8(OH(H2O]2− anions as FBBs, stack along [010] and are linked by Ce3+ ions, which exhibit a distorted CeO10 coordination sphere. The layers are additionally stabilized via O—H...O hydrogen bonds between water molecules and nitrate anions, located at the interlayer space. The [BO3(H2O]-group shows a [3 + 1] coordination and is considerably distorted from a tetrahedral configuration. Bond-valence-sum calculation shows that the valence sum of boron is only 2.63 valence units (v.u. when the contribution of the water molecule (0.49 v.u. is neglected.

Susceptibility to stress corrosion in stainless steels type AISI 321 and 12X18H10T used in PWR type reactors (WWER)

International Nuclear Information System (INIS)

Matadamas C, N.

1995-01-01

Titanium stabilized stainless steels have been utilized in sovietic pressurized water reactors (VVER) for avoid the susceptibility to Intergranular Corrosion (IGC) present in other austenitic stainless steels. However the Intergranular Corrosion resistance of this kind of materials has been questioned because of Intergranular Stress Corrosion Cracking failures (IGSCC) have been reported. This paper study the electrochemical behavior of the AISI 321 stainless steel in a H 3 BO 3 Solution contaminated with chlorides and its susceptibility to Intergranular Corrosion.Electrochemical prediction diagrams of the stainless steels AISI 321 and 12X18H10T (sovietic) sensitized (600 Centigrade, 3 h.) were compared. Cylindrical and conical samples were used in Slow Strain Rate Tests (SSRT), to determine the susceptibility to Stress Corrosion Cracking (SCC) in AISI 321 and 12X18H10T stainless steels. The results obtained showed that the temperature of the solution is a very important factor to detect this susceptibility. Fractography studies on the fracture surfaces of the samples obtained in the SSRT at high temperature were realized. Corrosion velocities of both AISI 321 and 12X18H10T stainless steels were determined using conical samples in the CERT system at high temperature. E.D.A.X. analysis was employed in both AISI 321 and 12X18H10T stainless steels in order to explain the degree of sensitization. (Author)

Ab initio studies of O2-(H2O)n and O3-(H2O)n anionic molecular clusters, n≤12

DEFF Research Database (Denmark)

Bork, Nicolai Christian; Kurtén, T.; Enghoff, Martin Andreas Bødker

2011-01-01

that anionic O2−(H2O)n and O3−(H2O)n clusters are thermally stabilized at typical atmospheric conditions for at least n = 5. The first 4 water molecules are strongly bound to the anion due to delocalization of the excess charge while stabilization of more than 4 H2O is due to normal hydrogen bonding. Although...... clustering up to 12 H2O, we find that the O2 and O3 anions retain at least ca. 80 % of the charge and are located at the surface of the cluster. The O2− and O3− speicies are thus accessible for further reactions. Finally, the thermodynamics of a few relevant cluster reactions are considered....

Grain boundary composition and irradiation-assisted stress corrosion cracking resistance in Type 348 stainless steel

International Nuclear Information System (INIS)

Jacobs, A.J.; Wozadlo, G.P.; Nakata, K.

1994-01-01

Scanning transmission electron microscopy (STEM) analyses, in-reactor swelling mandrel tests, and laboratory constant extension rate tensile (CERT) tests were conducted on nine custom type 348 (UNS S34800) stainless steel (SS) alloys in an attempt to correlate grain boundary composition with irradiation-assisted stress corrosion cracking (IASCC) resistance. Phosphorus (P) enrichment showed the best correlation with in-reactor test results, and chromium (Cr) depletion showed the best correlation with laboratory results. Silicon (Si) and P enrichment were found to depend quantitatively on the bulk concentrations of these elements. The amount of Cr depletion seemed dependent at least partially on the amounts of Si and/or P enrichment. Si and P enrichment and Cr depletion were suppressed by higher carbon (C) contents, such as that present in commercial-purity type 348 SS

H2O2: A Dynamic Neuromodulator

Science.gov (United States)

Rice, Margaret E.

2012-01-01

Increasing evidence implicates hydrogen peroxide (H2O2) as an intra- and intercellular signaling molecule that can influence processes from embryonic development to cell death. Most research has focused on relatively slow signaling, on the order of minutes to days, via second messenger cascades. However, H2O2 can also mediate subsecond signaling via ion channel activation. This rapid signaling has been examined most thoroughly in the nigrostriatal dopamine (DA) pathway, which plays a key role in facilitating movement mediated by the basal ganglia. In DA neurons of the substantia nigra, endogenously generated H2O2 activates ATP-sensitive K+ (KATP) channels that inhibit DA neuron firing. In the striatum, H2O2 generated downstream from glutamatergic AMPA receptor activation in medium spiny neurons acts as a diffusible messenger that inhibits axonal DA release, also via KATP channels. The source of dynamically generated H2O2 is mitochondrial respiration; thus, H2O2 provides a novel link between activity and metabolism via KATP channels. Additional targets of H2O2 include transient receptor potential (TRP) channels. In contrast to the inhibitory effect of H2O2 acting via KATP channels, TRP channel activation is excitatory. This review describes emerging roles of H2O2 as a signaling agent in the nigrostriatal pathway and other basal ganglia neurons. PMID:21666063

Study of corrosion resistance of AISI 444 ferritic stainless steel for application as a biomaterial; Estudo da resistencia a corrosao do aco inoxidavel ferritico AISI 444 para aplicacao como biomaterial

Energy Technology Data Exchange (ETDEWEB)

Marques, Rogerio Albuquerque

2014-09-01

Ferritic stainless steels are ferromagnetic materials. This property does not allow their use in orthopedic prosthesis. Nevertheless, in some specific applications, this characteristic is very useful, such as, for fixing dental and facial prostheses by using magnetic attachments. In this study, the corrosion resistance and cytotoxicity of the AISI 444 ferritic stainless steel, with low nickel content, extra-low interstitial levels (C and N) and Ti and Nb stabilizers, were investigated for magnetic dental attachments application. The ISO 5832-1 (ASTM F-139) austenitic stainless steel and a commercial universal keeper for dental attachment (Neo-magnet System) were evaluated for comparison reasons. The first stainless steel is the most used metallic material for prostheses, and the second one, is a ferromagnetic keeper for dental prostheses (NeoM). In vitro cytotoxicity analysis was performed by the red neutral incorporation method. The results showed that the AISI 444 stainless steel is non cytotoxic. The corrosion resistance was studied by anodic polarization methods and electrochemical impedance spectroscopy (EIS), in a saline phosphate buffered solution (PBS) at 37 °C. The electronic properties of the passive film formed on AISI 444 SS were evaluated by the Mott-Schottky approach. All tested materials showed passivity in the PBS medium and the passive oxide film presented a duplex nature. The highest susceptibility to pitting corrosion was associated to the NeoM SS. This steel was also associated to the highest dopant concentration. The comparatively low levels of chromium (nearly 12.5%) and molybdenum (0.3%) of NeoM relatively to the other studied stainless steels are the probable cause of its lower corrosion resistance. The NeoM chemical composition does not match that of the SUS444 standards. The AISI 444 SS pitting resistance was equivalent to the ISO 5832-1 pointing out that it is a potential candidate for replacement of commercial ferromagnetic alloys used

Influence of the ion nitriding temperature in the wear resistance of AISI H13 tool steel

International Nuclear Information System (INIS)

Heck, Stenio Cristaldo; Fernandes, Frederico Augusto Pires; Pereira, Ricardo Gomes; Casteletti, Luiz Carlos; Totten, George Edward

2010-01-01

The AISI H13 tool steel for hot work is the most used in its category. This steel was developed for injection molds and extrusion of hot metals as well as for conformation in hot presses and hammers. Plasma nitriding can improve significantly the surface properties of these steels, but the treatments conditions, such as temperature, must be optimized. In this work the influence of nitriding treatment temperature on the wear behavior of this steel is investigated. Samples of AISI H13 steel were quenched and tempered and then ion nitrided in the temperatures of 450, 550 and 650 deg C, at 4mbar pressure, during 5 hours. Samples of the treated material were characterized by optical microscopy, Vickers microhardness, x-ray analysis and wear tests. Plasma nitriding formed hard diffusion zones in all the treated samples. White layers were formed in samples treated at 550 deg C and 650 deg C. The treatment temperature of 450 deg C produced the highest hardness. Treatment temperature showed great influence in the diffusion layer thickness. X-ray analysis indicated the formation of the Fe_3N, Fe_4N and CrN phases for all temperatures, but with different concentrations. Nitriding increased significantly the AISI H13 wear resistance. (author)

Phase formation in the systems ZrO2-H2SO4-Na2SO4 (NaCl)-H2O

International Nuclear Information System (INIS)

Sozinova, Yu.P.; Motov, D.L.; Rys'kina, M.P.

1988-01-01

Formation of solid phases in the systems ZrO 2 - H 2 SO 4 - Na 2 SO 4 (NaCl) - H 2 O at 25 and 75 deg C is studied. Three basic Na 2 Zr(OH) 2 (SO 4 ) 2 x (0.2 - 0.4)H 2 O, NaZrOH(SO 4 ) 2 x H 2 O, NaZrO 0.5 (OH) 2 SO 4 x 2H 2 O and three normal sodium sulfatozirconates Na 2 Zr(SO 4 ) 3 x 3H 2 O, Na 4 Zr(SO 4 ) 4 x 3H 2 O, Na 6 Zr(SO 4 ) 5 x 4H 2 O have been isolated, their solubility and crystal optical properties are determined

Crystal structures of ZnCl2·2.5H2O, ZnCl2·3H2O and ZnCl2·4.5H2O

Directory of Open Access Journals (Sweden)

Erik Hennings

2014-12-01

Full Text Available The formation of different complexes in aqueous solutions is an important step in understanding the behavior of zinc chloride in water. The structure of concentrated ZnCl2 solutions is governed by coordination competition of Cl− and H2O around Zn2+. According to the solid–liquid phase diagram, the title compounds were crystallized below room temperature. The structure of ZnCl2·2.5H2O contains Zn2+ both in a tetrahedral coordination with Cl− and in an octahedral environment defined by five water molecules and one Cl− shared with the [ZnCl4]2− unit. Thus, these two different types of Zn2+ cations form isolated units with composition [Zn2Cl4(H2O5] (pentaaqua-μ-chlorido-trichloridodizinc. The trihydrate {hexaaquazinc tetrachloridozinc, [Zn(H2O6][ZnCl4]}, consists of three different Zn2+ cations, one of which is tetrahedrally coordinated by four Cl− anions. The two other Zn2+ cations are each located on an inversion centre and are octahedrally surrounded by water molecules. The [ZnCl4] tetrahedra and [Zn(H2O6] octahedra are arranged in alternating rows parallel to [001]. The structure of the 4.5-hydrate {hexaaquazinc tetrachloridozinc trihydrate, [Zn(H2O6][ZnCl4]·3H2O}, consists of isolated octahedral [Zn(H2O6] and tetrahedral [ZnCl4] units, as well as additional lattice water molecules. O—H...O hydrogen bonds between the water molecules as donor and ZnCl4 tetrahedra and water molecules as acceptor groups leads to the formation of a three-dimensional network in each of the three structures.

Kinetic removal of haloacetonitrile precursors by photo-based advanced oxidation processes (UV/H2O2, UV/O3, and UV/H2O2/O3).

Science.gov (United States)

Srithep, Sirinthip; Phattarapattamawong, Songkeart

2017-06-01

The objective of the study is to evaluate the performance of conventional treatment process (i.e., coagulation, flocculation, sedimentation and sand filtration) on the removals of haloacetonitrile (HAN) precursors. In addition, the removals of HAN precursors by photo-based advanced oxidation processes (Photo-AOPs) (i.e., UV/H 2 O 2 , UV/O 3 , and UV/H 2 O 2 /O 3 ) are investigated. The conventional treatment process was ineffective to remove HAN precursors. Among Photo-AOPs, the UV/H 2 O 2 /O 3 was the most effective process for removing HAN precursors, followed by UV/H 2 O 2 , and UV/O 3 , respectively. For 20min contact time, the UV/H 2 O 2 /O 3 , UV/H 2 O 2 , and UV/O 3 suppressed the HAN formations by 54, 42, and 27% reduction. Increasing ozone doses from 1 to 5 mgL -1 in UV/O 3 systems slightly improved the removals of HAN precursors. Changes in pH (6-8) were unaffected most of processes (i.e., UV, UV/H 2 O 2 , and UV/H 2 O 2 /O 3 ), except for the UV/O 3 system that its efficiency was low in the weak acid condition. The pseudo first-order kinetic constant for removals of dichloroacetonitrile precursors (k' DCANFP ) by the UV/H 2 O 2 /O 3 , UV/H 2 O 2 and standalone UV systems were 1.4-2.8 orders magnitude higher than the UV/O 3 process. The kinetic degradation of dissolved organic nitrogen (DON) tended to be higher than the k' DCANFP value. This study firstly differentiates the kinetic degradation between DON and HAN precursors. Copyright © 2017 Elsevier Ltd. All rights reserved.

An open-framework three-dimensional indium oxalate: [In(OH)(C2O4)(H2O)]3.H2O

International Nuclear Information System (INIS)

Yang Sihai; Li Guobao; Tian Shujian; Liao Fuhui; Lin Jianhua

2005-01-01

By hydrothermal reaction of In 2 O 3 with H 2 C 2 O 4 .2H 2 O in the presence of H 3 BO 3 at 155 deg. C, an open-framework three-dimensional indium oxalate of formula [In(OH)(C 2 O 4 )(H 2 O)] 3 .H 2 O (1) has been obtained. The compound crystallizes in the trigonal system, space group R3c with a=18.668(3)A, c=7.953(2)A, V=2400.3(7)A 3 , Z=6, R 1 =0.0352 at 298K. The small pores in 1 are filled with water molecules. It loses its filled water at about 180 deg. C without the change of structure, then the bounded water at 260 deg. C, and completely decompounds at 324 deg. C. The residue is confirmed to be In 2 O 3

Synthesis and crystal structures of new complexes of Np(V) glycolate with 2,2'-bipyridine, [NpO2(C10H8N2)(OOC2H2OH)].1.5H2O and [NpO2(C10H8N2)(OOC2H2OH)].2.5H2O

International Nuclear Information System (INIS)

Charushnikova, I.A.; Krot, N.N.; Starikova, Z.A.

2009-01-01

Single crystals were prepared, and the structures of two complexes of Np(V) glycolate with 2,2'-bipyridine of the compositions [NpO 2 (C 10 H 8 N 2 )(OOC 2 H 2 OH)].1.5H 2 O (I) and [NpO 2 (C 10 H 8 N 2 )(OOC 2 H 2 OH)]2.5H 2 O (II) were studied. The structures of the compounds are based on neptunyl-glycolate chains in which the glycolate anion manifests its complexation ability in different manner. In structure I, the bidentate-bridging anion links the adjacent NpO 2 - cations through the oxygen atoms of the carboxylate group. The neptunyl-glycolate chains of I exhibits the mutual coordination of the NpO 2 - cations acting toward each other simultaneously as ligands and coordinating centers. In compound II, the glycolate anion is bidentately coordinated to one neptunium atom to form a planar five-membered metallocycle [NpOCCO]. The O atom external with respect to the metallocycle is in the coordination environment of the adjacent neptunyl. The nitrogen-containing molecular ligand Bipy is included into the coordination environment of Np. The coordination polyhedron of the Np atoms in both structures is a pentagonal bipyramid in which the average Np-N bond length is 2.666 Aa (I) and 2.596 Aa (II). (orig.)

Development of Nb2O5|Cu composite as AISI 1020 steel thermal spray coating for protection against corrosion by soil in buried structures

International Nuclear Information System (INIS)

Regis Junior, Oscar; Silva, Jose Maurilio da; Portella, Kleber Franke; Paredes, Ramon Sigifredo Cortes

2012-01-01

An Nb 2 O|Cu corrosion-resistant coating was developed and applied onto AISI 1020 steel substrate by Powder Flame Spray. A galvanostatic electrochemical technique was employed, with and without ohmic drop, in four different soils (two corrosively aggressive and two less aggressive). Behavior of coatings in different soils was compared using a cathodic hydrogen reduction reaction (equilibrium potential, overvoltage and exchange current density) focusing on the effect of ohmic drop. Results allow recommendation of Nb 2 O 5 |Cu composite for use in buried structure protection. (author)

Toolpath strategy for cutter life improvement in plunge milling of AISI H13 tool steel

Science.gov (United States)

Adesta, E. Y. T.; Avicenna; hilmy, I.; Daud, M. R. H. C.

2018-01-01

Machinability of AISI H13 tool steel is a prominent issue since the material has the characteristics of high hardenability, excellent wear resistance, and hot toughness. A method of improving cutter life of AISI H13 tool steel plunge milling by alternating the toolpath and cutting conditions is proposed. Taguchi orthogonal array with L9 (3^4) resolution will be employed with one categorical factor of toolpath strategy (TS) and three numeric factors of cutting speed (Vc), radial depth of cut (ae ), and chip load (fz ). It is expected that there are significant differences for each application of toolpath strategy and each cutting condition factor toward the cutting force and tool wear mechanism of the machining process, and medial axis transform toolpath could provide a better tool life improvement by a reduction of cutting force during machining.

A model for radiolysis of water and aqueous solutions of H2, H2O2 and O2

International Nuclear Information System (INIS)

Ershov, B.G.; Gordeev, A.V.

2008-01-01

Kinetic model for the radiolysis of pure water describing the formation of H 2 , H 2 O 2 and O 2 and the radiation chemical transformations of aqueous solutions containing these compounds over a broad range of concentrations, pH, absorbed doses and dose rates is proposed and substantiated. The model includes a set of chemical reactions with optimized rate constants and the radiation chemical yields of radiolysis products. The model applicability to the description of the whole set of data on the radiation chemical transformations of water and aqueous solutions of H 2 , H 2 O 2 and O 2 is demonstrated

Pulsed laser deposited MnCo{sub 2}O{sub 4} protective layer on SS430 for solid oxide fuel cell application

Energy Technology Data Exchange (ETDEWEB)

Gaur, Anshu, E-mail: gauranshu20@gmail.com, E-mail: ahamed.vza@gmail.com; Mohiddon, Md. Ahamad, E-mail: gauranshu20@gmail.com, E-mail: ahamed.vza@gmail.com [National Institute of Technology Andhra Pradesh, Tadepalliguem 534101 (India); Prasad, Muvva D. [UGC Networking Centre, School of Chemistry, University of Hyderabad, Hyderabad 500046, India. Phone:+91-40-23134382, Fax:+91-40-23010227 (India)

2016-05-23

The growth and oxidation study of pulsed laser deposited MnCo{sub 2}O{sub 4} protective layer on SS430 substrate for solid oxide fuel cell application is demonstrated. MnCo{sub 2}O{sub 4} has been achieved in three different ways including, deposition at higher substrate temperature (700°C), and deposition at room temperature on pre-oxidized and untreated SS430 substrate followed by annealing at 700°C for 2 hrs. X-ray diffraction and Raman spectroscopy has been applied to demonstrate the kind of phases developed in each case. These three samples were subjected to heat treatment at 750°C for 5 hr. The extent of undesired Fe{sub 2}O{sub 3} phase formation in the post deposition heat treated samples is discussed based on Raman spectroscopic results.

Study of ZrO2-H2SO4-(NH4)2SO4(NH4Cl)-H2O systems

International Nuclear Information System (INIS)

Motov, D.L.; Sozinova, Yu.P.; Rys'kina, M.P.

1988-01-01

Regions of formation, composition and solubility of ammonium sulfatozirconates (ASZ) in ZrO 2 -H 2 SO 4 -(NH 4 ) 2 SO 4 (NH 4 Cl)-H 2 O systems at 25 and 75 deg C are studied by the isothermal method. Five ASZ: (NH 4 ) 2 Zr(OH) 2 (SO 4 ) 2 , NH 4 ZrOH(SO 4 ) 2 xH 2 O, NH 4 ZrO 0.5 (OH) 2 SO 4 x1.5H 2 O, (NH 4 ) 2 Zr(SO 4 ) 3 x2H 2 O, (NH 4 ) 4 Zr(SO 4 ) 4 x4H 2 O are detected, their properties are investigated. Main sulfates are new compounds never described ealier

Stoichiometric titanium dioxide ion implantation in AISI 304 stainless steel for corrosion protection

Science.gov (United States)

Hartwig, A.; Decker, M.; Klein, O.; Karl, H.

2015-12-01

The aim of this study is to evaluate the applicability of highly chemically inert titanium dioxide synthesized by ion beam implantation for corrosion protection of AISI 304 stainless steel in sodium chloride solution. More specifically, the prevention of galvanic corrosion between carbon-fiber reinforced plastic (CFRP) and AISI 304 was investigated. Corrosion performance of TiO2 implanted AISI 304 - examined for different implantation and annealing parameters - is strongly influenced by implantation fluence. Experimental results show that a fluence of 5 × 1016 cm-2 (Ti+) and 1 × 1017 cm-2 (O+) is sufficient to prevent pitting corrosion significantly, while galvanic corrosion with CFRP can already be noticeably reduced by an implantation fluence of 5 × 1015 cm-2 (Ti+) and 1 × 1016 cm-2 (O+). Surface roughness, implantation energy and annealing at 200 °C and 400 °C show only little influence on the corrosion behavior. TEM analysis indicates the existence of stoichiometric TiO2 inside the steel matrix for medium fluences and the formation of a separated metal oxide layer for high fluences.

Development of Nb{sub 2}O{sub 5}|Cu composite as AISI 1020 steel thermal spray coating for protection against corrosion by soil in buried structures; Desenvolvimento e uso do composito de Nb{sub 2}O{sub 5}|Cu como revestimento aplicado por aspersao termica sobre o aco AISI 1020 para protecao contra a corrosao pelo solo em estruturas enterradas

Energy Technology Data Exchange (ETDEWEB)

Regis Junior, Oscar [Universidade Tecnologica Federal do Parana, Ponta Grossa, PR (Brazil). Dept. de Mecanica; Silva, Jose Maurilio da; Portella, Kleber Franke [Instituto de Tecnologia para o Desenvolvimento, Curitiba, PR (Brazil). Dept. de Pesquisa em Engenharia Civil; Paredes, Ramon Sigifredo Cortes, E-mail: regis@utfpr.edu.br [Universidade Federal do Parana, Curitiba, PR (Brazil). Dept. de Mecanica

2012-07-01

An Nb{sub 2}O|Cu corrosion-resistant coating was developed and applied onto AISI 1020 steel substrate by Powder Flame Spray. A galvanostatic electrochemical technique was employed, with and without ohmic drop, in four different soils (two corrosively aggressive and two less aggressive). Behavior of coatings in different soils was compared using a cathodic hydrogen reduction reaction (equilibrium potential, overvoltage and exchange current density) focusing on the effect of ohmic drop. Results allow recommendation of Nb{sub 2}O{sub 5}|Cu composite for use in buried structure protection. (author)

Effects of chlorides on the hydration of 12CaO{center_dot}7Al2O3 solid solution

Energy Technology Data Exchange (ETDEWEB)

Sango, H.; Miyakawa, T.; Yasue, T.; Arai, Y. [Nihon Univ., Tokyo (Japan). Faculty of Science and Engineering

1995-01-01

The purpose of this paper was to compare the hydration rate of C12A7ss and to study the effects of chlorides on the hydration products and the hydration rate of C12A7ss. In this paper, `C12A7ss` is a general term for C11A7{center_dot}Ca(OH)2, 11CaO{center_dot}7Al2O3{center_dot}CaF2 and 11CaO{center_dot}7Al2O3{center_dot}CaCl2. The hydration process and the hydration rate of 12CaO{center_dot}7Al2O3 solution (C12A7ss) with and without various chlorides (CaCl2, MgCl2, NaCl, NH4Cl and AlCl3) has been determined at 25{degree}C. Various C12A7ss were prepared in burning method. When C12A7ss with various chlorides are hydrated, 3CaO{center_dot} Al2O3{center_dot}CaCl2{center_dot}10H2O(Friedel`s salt) is formed as the primary hydrate. The hydration rate of C12A7ss is decreased by the coexistence of CaCl2, MgCl2, NaCl or NH4Cl except AlCl3. As a result, the setting time of C12A7ss is extended and the unhydrate exists for a long time comparatively. 14 refs., 7 figs., 1 tab.

Low temperature plasma carburizing of AISI 316L austenitic stainless steel and AISI F51 duplex stainless steel Cementação sob plasma à baixa temperatura do aço inoxidável austenítico AISI 316L e do aço inoxidável duplex AISI F51

OpenAIRE

Carlos Eduardo Pinedo; André Paulo Tschiptschin

2013-01-01

In this work an austenitic AISI 316L and a duplex AISI F51 (EN 1.4462) stainless steel were DC-Plasma carburized at 480ºC, using CH4 as carbon carrier gas. For the austenitic AISI 316L stainless steel, low temperature plasma carburizing induced a strong carbon supersaturation in the austenitic lattice and the formation of carbon expanded austenite (γC) without any precipitation of carbides. The hardness of the carburized AISI 316L steel reached a maximum of 1000 HV due to ∼13 at% c...

Determination and modeling for the solubility of Na_2WO_4·2H_2O and Na_2MoO_4·2H_2O in the (Na"+ + MoO_4"2"− + WO_4"2"− + SO_4"2"− + H_2O) system

International Nuclear Information System (INIS)

Ning, Pengge; Xu, Weifeng; Cao, Hongbin; Xu, Hongbin

2016-01-01

Highlights: • The solubility of Na_2MoO_4·2H_2O and Na_2WO_4·2H_2O in Na_2MoO_4–Na_2WO_4–Na_2SO_4–H_2O were performed. • The solubility of sodium tungstate dihydrate in Na_2WO_4–Na_2SO_4–H_2O was determined. • The new model was established via regressing the published and the determined data. • The Pitzer parameter and the solubility product constant of the salt in solution were calculated. • The model was used to estimate the solubility of the sodium molybdate and sodium tungstate. - Abstract: The solubility of sodium tungstate dihydrate and sodium molybdate dihydrate in the (Na_2MoO_4 + Na_2WO_4 + Na_2SO_4 + H_2O) system was studied using experimental and calculated methods. The osmotic coefficient of sodium tungstate was fitted to calculate the thermodynamics parameters of (Na_2WO_4 + H_2O) system. The solubility of sodium tungstate dihydrate was determined using the dynamic method in Na_2WO_4–Na_2SO_4–H_2O to establish the new model which can provide an estimate the solubility of sodium tungstate dihydrate in various conditions, combined with the data published, the solubility of sodium tungstate dihydrate and the sodium molybdate dihydrate in quaternary system of (Na_2MoO_4 + Na_2WO_4 + Na_2SO_4 + H_2O) was estimated using the parameters of the two ternary systems of (Na_2WO_4 + Na_2SO_4 + H_2O) and (Na_2MoO_4 + Na_2SO_4 + H_2O). The results show that the AARD is always small and the calculated value is basically consistent with the experimental values for the system studied.

Degradation kinetics and mechanism of β-lactam antibiotics by the activation of H{sub 2}O{sub 2} and Na{sub 2}S{sub 2}O{sub 8} under UV-254 nm irradiation

Energy Technology Data Exchange (ETDEWEB)

He, Xuexiang [Environmental Engineering and Science Program, University of Cincinnati, Cincinnati, OH 45221-0012 (United States); Department of Civil and Environmental Engineering and Nireas-International Water Research Centre, School of Engineering, University of Cyprus, PO Box 20537, 1678 Nicosia (Cyprus); Mezyk, Stephen P. [Department of Chemistry and Biochemistry, California State University Long Beach, 1250 Bellflower Blvd., Long Beach, CA 90840 (United States); Michael, Irene; Fatta-Kassinos, Despo [Department of Civil and Environmental Engineering and Nireas-International Water Research Centre, School of Engineering, University of Cyprus, PO Box 20537, 1678 Nicosia (Cyprus); Dionysiou, Dionysios D., E-mail: dionysios.d.dionysiou@uc.edu [Environmental Engineering and Science Program, University of Cincinnati, Cincinnati, OH 45221-0012 (United States); Department of Civil and Environmental Engineering and Nireas-International Water Research Centre, School of Engineering, University of Cyprus, PO Box 20537, 1678 Nicosia (Cyprus)

2014-08-30

Graphical abstract: - Highlights: • Removal efficiency was comparable at different UV fluence rates but same fluence. • Reducing pH to 3 or 2 did not inhibit the removal of nitrobenzene by UV/S{sub 2}O{sub 8}{sup 2−}. • 1.84 × 10{sup −14} M [HO{sup •} ]{sub ss} and 3.10 × 10{sup −13} M [SO{sub 4}{sup •} {sup −}]{sub ss} in UV/S{sub 2}O{sub 8}{sup 2−} were estimated. • HO{sup •} reacted faster with the β-lactams than SO{sub 4}{sup •} {sup −} but sharing similar byproducts. • Transformation pathways included hydroxylation, hydrolysis and decarboxylation. - Abstract: The extensive production and usage of antibiotics have led to an increasing occurrence of antibiotic residuals in various aquatic compartments, presenting a significant threat to both ecosystem and human health. This study investigated the degradation of selected β-lactam antibiotics (penicillins: ampicillin, penicillin V, and piperacillin; cephalosporin: cephalothin) by UV-254 nm activated H{sub 2}O{sub 2} and S{sub 2}O{sub 8}{sup 2−} photochemical processes. The UV irradiation alone resulted in various degrees of direct photolysis of the antibiotics; while the addition of the oxidants improved significantly the removal efficiency. The steady-state radical concentrations were estimated, revealing a non-negligible contribution of hydroxyl radicals in the UV/S{sub 2}O{sub 8}{sup 2−} system. Mineralization of the β-lactams could be achieved at high UV fluence, with a slow formation of SO{sub 4}{sup 2−} and a much lower elimination of total organic carbon (TOC). The transformation mechanisms were also investigated showing the main reaction pathways of hydroxylation (+16 Da) at the aromatic ring and/or the sulfur atom, hydrolysis (+18 Da) at the β-lactam ring and decarboxylation (–44 Da) for the three penicillins. Oxidation of amine group was also observed for ampicillin. This study suggests that UV/H{sub 2}O{sub 2} and UV/S{sub 2}O{sub 8}{sup 2−} advanced

Desenvolvimento e uso do compósito de Nb2O5|Cu como revestimento aplicado por aspersão térmica sobre o aço AISI 1020 para proteção contra a corrosão pelo solo em estruturas enterradas

Directory of Open Access Journals (Sweden)

Oscar Regis Junior

2012-01-01

Full Text Available An Nb2O|Cu corrosion-resistant coating was developed and applied onto AISI 1020 steel substrate by Powder Flame Spray. A galvanostatic electrochemical technique was employed, with and without ohmic drop, in four different soils (two corrosively aggressive and two less aggressive. Behavior of coatings in different soils was compared using a cathodic hydrogen reduction reaction (equilibrium potential, overvoltage and exchange current density focusing on the effect of ohmic drop. Results allow recommendation of Nb2O5|Cu composite for use in buried structure protection.

Sol–gel derived solar selective coatings on SS 321 substrates for solar thermal applications

Energy Technology Data Exchange (ETDEWEB)

Subasri, R., E-mail: subasri@arci.res.in; Soma Raju, K.R.C.; Reddy, D.S.; Hebalkar, Neha Y.; Padmanabham, G.

2016-01-01

Sol–gel derived multilayered solar selective coatings were generated on AISI SS 321 substrates using Ag-TiO{sub 2} as the cermet layer, titania and silica as the dielectric layers with high and low refractive indices respectively. The phase compositions of the individual layers were independently confirmed using grazing angle incidence X-ray diffraction, which was corroborated by X-ray photoelectron spectroscopic analysis. Thickness of the layers was measured using variable angle spectroscopic ellipsometry. The solar absorbance was measured over the UV–Vis-NIR wavelength range. Thermal emissivity was determined using FTIR spectroscopic analysis. The durability of the coatings was ascertained using accelerated corrosion testing methods as well as by measuring the optical properties after thermal cycling experiments. The promising nature of hexavalent chrome-free, environmental friendly, multilayered solar selective coating was ascertained with respect to amenability to scale-up. - Highlights: • Sol–gel derived multilayered solar selective coatings developed on SS321 • Solar absorptance and thermal emittance at par with toxic chrome coating • Thermal stability and corrosion resistance of coatings studied • Coating performance found to be promising for large scale applications • Scale-up amenability investigated by coating generation on 1 m tubes.

Sol–gel derived solar selective coatings on SS 321 substrates for solar thermal applications

International Nuclear Information System (INIS)

Subasri, R.; Soma Raju, K.R.C.; Reddy, D.S.; Hebalkar, Neha Y.; Padmanabham, G.

2016-01-01

Sol–gel derived multilayered solar selective coatings were generated on AISI SS 321 substrates using Ag-TiO_2 as the cermet layer, titania and silica as the dielectric layers with high and low refractive indices respectively. The phase compositions of the individual layers were independently confirmed using grazing angle incidence X-ray diffraction, which was corroborated by X-ray photoelectron spectroscopic analysis. Thickness of the layers was measured using variable angle spectroscopic ellipsometry. The solar absorbance was measured over the UV–Vis-NIR wavelength range. Thermal emissivity was determined using FTIR spectroscopic analysis. The durability of the coatings was ascertained using accelerated corrosion testing methods as well as by measuring the optical properties after thermal cycling experiments. The promising nature of hexavalent chrome-free, environmental friendly, multilayered solar selective coating was ascertained with respect to amenability to scale-up. - Highlights: • Sol–gel derived multilayered solar selective coatings developed on SS321 • Solar absorptance and thermal emittance at par with toxic chrome coating • Thermal stability and corrosion resistance of coatings studied • Coating performance found to be promising for large scale applications • Scale-up amenability investigated by coating generation on 1 m tubes

SIMULTANEOUS OBSERVATIONS OF SiO AND H{sub 2}O MASERS TOWARD KNOWN STELLAR H{sub 2}O MASER SOURCES

Energy Technology Data Exchange (ETDEWEB)

Kim, Jaeheon [Yonsei University Observatory, Seongsan-ro 262, Seodaemun, Seoul 120-749 (Korea, Republic of); Cho, Se-Hyung [Korean VLBI Network Yonsei Radio Astronomy Observatory, Yonsei University, Seongsan-ro 262, Seodaemun, Seoul 120-749 (Korea, Republic of); Kim, Sang Joon, E-mail: jhkim@kasi.re.kr, E-mail: cho@kasi.re.kr, E-mail: sjkim1@khu.ac.kr [Department of Astronomy and Space Science, Kyung Hee University, Seocheon-Dong, Giheung-Gu, Yongin, Gyeonggi-Do 446-701 (Korea, Republic of)

2013-01-01

We present the results of simultaneous observations of SiO v = 1, 2, {sup 29}SiO v = 0, J = 1-0, and H{sub 2}O 6{sub 16}-5{sub 23} maser lines toward 152 known stellar H{sub 2}O maser sources using the Yonsei 21 m radio telescope of the Korean VLBI Network from 2009 June to 2011 January. Both SiO and H{sub 2}O masers were detected from 62 sources with a detection rate of 40.8%. The SiO-only maser emission without H{sub 2}O maser detection was detected from 27 sources, while the H{sub 2}O-only maser without SiO maser detection was detected from 22 sources. Therefore, the overall SiO maser emission was detected from 89 sources, resulting in a detection rate of 58.6%. We have identified 70 new detections of the SiO maser emission. For both H{sub 2}O and SiO maser detected sources, the peak and integrated antenna temperatures of SiO masers are stronger than those of H{sub 2}O masers in both Mira variables and OH/IR stars and the relative intensity ratios of H{sub 2}O to SiO masers in OH/IR stars are larger than those in Mira variables. In addition, distributions of 152 observed sources were investigated in the IRAS two-color diagram.

Fracture toughness and stress relief response of irradiated Type 347/348 stainless steel

International Nuclear Information System (INIS)

Haggag, F.M.

1985-01-01

A test program has experimentally determined: (1) The fracture toughness of Type 347/348 stainless steel (SS) specimens with high values of irradiation fluence (2.3 to 4.8 x 10 22 n/cm 2 , E > 1.0 MeV) and experiencing different levels of irradiation creep (0.0, 0.6, 1.1, 1.8%), (2) the effect of thermal stress relief on fracture toughness recovery for the highly irradiated material, and (3) the mechanisms associated with fracture toughness recovery due to thermal stress relief. The postirradiation fracture toughness tests and tensile tests were conducted at 427 0 C

Hydrothermal synthesis and structural characterization of an organic–inorganic hybrid sandwich-type tungstoantimonate [Cu(en)2(H2O)]4[Cu(en)2(H2O)2][Cu2Na4(α-SbW9O33)2]·6H2O

International Nuclear Information System (INIS)

Liu, Yingjie; Cao, Jing; Wang, Yujie; Li, Yanzhou; Zhao, Junwei; Chen, Lijuan; Ma, Pengtao; Niu, Jingyang

2014-01-01

An organic–inorganic hybrid sandwich-type tungstoantimonate [Cu(en) 2 (H 2 O)] 4 [Cu(en) 2 (H 2 O) 2 ][Cu 2 Na 4 (α-SbW 9 O 33 ) 2 ]·6H 2 O (1) has been synthesized by reaction of Sb 2 O 3 , Na 2 WO 4 ·2H 2 O, CuCl 2 ·2H 2 O with en (en=ethanediamine) under hydrothermal conditions and structurally characterized by elemental analysis, inductively coupled plasma atomic emission spectrometry, IR spectrum and single-crystal X-ray diffraction. 1 displays a centric dimeric structure formed by two equivalent trivacant Keggin [α-SbW 9 O 33 ] 9− subunits sandwiching a hexagonal (Cu 2 Na 4 ) cluster. Moreover, those related hexagonal hexa-metal cluster sandwiched tungstoantimonates have been also summarized and compared. The variable-temperature magnetic measurements of 1 exhibit the weak ferromagnetic exchange interactions within the hexagonal (Cu 2 Na 4 ) cluster mediated by the oxygen bridges. - Graphical abstract: An organic–inorganic hybrid (Cu 2 Na 4 ) sandwiched tungstoantimonate [Cu(en) 2 (H 2 O)] 4 [Cu (en) 2 (H 2 O) 2 ][Cu 2 Na 4 (α-SbW 9 O 33 ) 2 ]·6H 2 O was synthesized and magnetic properties was investigated. Display Omitted - Highlights: • Organic–inorganic hybrid sandwich-type tungstoantimonate. • (Cu 2 Na 4 sandwiched) tungstoantimonate [Cu 2 Na 4 (α-SbW 9 O 33 ) 2 ] 10− . • Ferromagnetic tungstoantimonate

Study of corrosion resistance of AISI 444 ferritic stainless steel for application as a biomaterial

International Nuclear Information System (INIS)

Marques, Rogerio Albuquerque

2014-01-01

Ferritic stainless steels are ferromagnetic materials. This property does not allow their use in orthopedic prosthesis. Nevertheless, in some specific applications, this characteristic is very useful, such as, for fixing dental and facial prostheses by using magnetic attachments. In this study, the corrosion resistance and cytotoxicity of the AISI 444 ferritic stainless steel, with low nickel content, extra-low interstitial levels (C and N) and Ti and Nb stabilizers, were investigated for magnetic dental attachments application. The ISO 5832-1 (ASTM F-139) austenitic stainless steel and a commercial universal keeper for dental attachment (Neo-magnet System) were evaluated for comparison reasons. The first stainless steel is the most used metallic material for prostheses, and the second one, is a ferromagnetic keeper for dental prostheses (NeoM). In vitro cytotoxicity analysis was performed by the red neutral incorporation method. The results showed that the AISI 444 stainless steel is non cytotoxic. The corrosion resistance was studied by anodic polarization methods and electrochemical impedance spectroscopy (EIS), in a saline phosphate buffered solution (PBS) at 37 °C. The electronic properties of the passive film formed on AISI 444 SS were evaluated by the Mott-Schottky approach. All tested materials showed passivity in the PBS medium and the passive oxide film presented a duplex nature. The highest susceptibility to pitting corrosion was associated to the NeoM SS. This steel was also associated to the highest dopant concentration. The comparatively low levels of chromium (nearly 12.5%) and molybdenum (0.3%) of NeoM relatively to the other studied stainless steels are the probable cause of its lower corrosion resistance. The NeoM chemical composition does not match that of the SUS444 standards. The AISI 444 SS pitting resistance was equivalent to the ISO 5832-1 pointing out that it is a potential candidate for replacement of commercial ferromagnetic alloys used

A comprehensive review on cold work of AISI D2 tool steel

Science.gov (United States)

Abdul Rahim, Mohd Aidil Shah bin; Minhat, Mohamad bin; Hussein, Nur Izan Syahriah Binti; Salleh, Mohd Shukor bin

2017-11-01

As a common material in mould and die application, AISI D2 cold work tool steel has proven to be a promising chosen material in the industries. However, challenges remain in using AISI D2 through a modified version with a considerable progress having been made in recent years. This paper provides a critical review of the original as-cast AISI D2 cold work tool steel up to the modified version. The main purpose is to develop an understanding of current modified tool steel trend; the machinability of AISI D2 (drilling, milling, turning, grinding and EDM/WEDM; and the microstructure evolution and mechanical properties of these cold work tool steels due to the presence of alloy materials in the steel matrix. The doping of rare earth alloy element, new steel fabrication processes, significant process parameter in machinability and surface treatment shows that there have been few empirical investigations into these cold work tool steel alloys. This study has discovered that cold work tool steel will remain to be explored in order to survive in the steel industries.

Estudio de microestructura y composición de la oxidación en vapor a 700 y 750oC de los aceros austeníticos AISI 304, 316 y 317

Directory of Open Access Journals (Sweden)

José Luddey Marulanda

2013-01-01

Full Text Available Se ha investigado la oxidación de los aceros inoxidables austeníticos AISI SAE: 304, 316 y 317; a temperaturas de 700 y 750oC, en una atmósfera próxima al 100% de vapor de agua, y de 10 a 1000h de exposición. La finalidad es comprobar la calidad de los aceros austeníticos y estudiar la morfología, composición y estructura de la fases de las capas formadas en la cascarilla del óxido de las muestras por Microscopía Electrónica de Barrido (SEM, Análisis de Rayos X por Dispersión de Energía (EDAX y Difracción de Rayos X (XRD, respectivamente. Así como también, se ha realizado a diferentes tiempos un estudio sistemático de termogravimetría de las muestras oxidadas, donde se ha observado que el acero AISI 304 presentó la menor ganancia de masa y el acero AISI 316 fue el de mayor de masa respecto a los tres aceros del trabajo. Adicionalmente fue realizado un estudio teórico de simulación termodinámica de oxidación en vapor de los tres aceros, en las mismas condiciones experimentales y mediante el programa Thermo-calc. En estos aceros oxidados se han comprobado la presencia de estructuras de fases de óxidos como: Fe2O3, espinelas protectoras Fe3O4 y Cr2NiO4, y óxidos mixtos de tipo (CrxFey2O3, (Fe,Cr,Mn3O4 y Ni6MnO8. Finalmente, se discute un posible mecanismo de la formación de las capas de óxidos de las muestras ensayadas.

Action of an aerobic hydrogenotroph bacteria isolated from ultrapure water systems on AISI 304 stainless steel

Energy Technology Data Exchange (ETDEWEB)

Gales, Gregoire [DTN/SMTM/LMTE, CEA Cadarache, F-13108 Saint-Paul-lez-Durance (France)]|[DSV/DEVM/LEMIR, UMR 6191 CNRS-CEA-Universite Aix-Marseille II, CEA Cadarache, F- 13108 Saint-Paul-lez-Durance (France); Roy, Marc; Feron, Damien [DEN/DPC/SCCME/LECA, Bat 458, CEA Saclay F- 91191 Gif sur Yvette (France); Libert, Marie-Francoise; Sellier, Regine [DTN/SMTM/LMTE, CEA Cadarache, F-13108 Saint-Paul-lez-Durance (France); Cournac, Laurent [DSV/DEVM/LEP, UMR 6191 CNRS-CEA-Universite Aix-Marseille II, CEA Cadarache, F- 13108 Saint-Paul-lez-Durance (France); Heulin, Thierry [DSV/DEVM/LEMIR, UMR 6191 CNRS-CEA-Universite Aix-Marseille II, CEA Cadarache, F- 13108 Saint-Paul-lez-Durance (France)

2004-07-01

Several microbial studies have been recently performed in nuclear power stations. These studies concerned essentially the formation of bio-films on submerged metal coupons. Heterotrophic micro-organisms have been found in bulk water of nuclear fuel storage basins but the in situ nutrient sources for bacterial development in such highly oligo-trophic water was unknown. In nuclear environments, radiations lead to the production of molecular hydrogen, hydrogen peroxide and some radicals (OH, O{sub 2}{sup -}) by radiolysis of water or embedding matrices. Bacterial oxidation of molecular H{sub 2} commonly occurs in nature, as molecular hydrogen represents a high-energy reductant. We investigated the microbiology of a ultra-pure water basin containing irradiating waste. The initial aim of this study was to determine if autotrophic bacterial growth was possible in this basin. A major bacteria was isolated (Ralstonia sp. GGLH002) which was able to grow autotrophically with hydrogen as the electron donor and oxygen as the electron acceptor, and heterotrophically with organic nutrients. Its hydrogenase activity has been characterized. We focused then our study on the effects of this strain on 304L AISI stainless steel depending on the nutrient source used for bacterial development, e.g hydrogen or organics. In conclusion, the mechanism of passivation enhanced by Ralstonia sp. GGLH002 on AISI 304L SS still remains unknown. Several techniques could give substantial information, including XPS and polarization curves. It seems for the moment that the major bacteria inhabiting an oxic environment containing hydrogen due to radiolysis is not aggressive to stainless steel in conditions near from its environment. Further investigations are needed to test this hypothesis, including a study of the molecular diversity of the bacteria using culture-independent techniques, as cultivatable bacterial populations represent in general only a fraction of the total bacteria. (authors)

Action of an aerobic hydrogenotroph bacteria isolated from ultrapure water systems on AISI 304 stainless steel

International Nuclear Information System (INIS)

Gales, Gregoire; Roy, Marc; Feron, Damien; Libert, Marie-Francoise; Sellier, Regine; Cournac, Laurent; Heulin, Thierry

2004-01-01

Several microbial studies have been recently performed in nuclear power stations. These studies concerned essentially the formation of bio-films on submerged metal coupons. Heterotrophic micro-organisms have been found in bulk water of nuclear fuel storage basins but the in situ nutrient sources for bacterial development in such highly oligo-trophic water was unknown. In nuclear environments, radiations lead to the production of molecular hydrogen, hydrogen peroxide and some radicals (OH, O 2 - ) by radiolysis of water or embedding matrices. Bacterial oxidation of molecular H 2 commonly occurs in nature, as molecular hydrogen represents a high-energy reductant. We investigated the microbiology of a ultra-pure water basin containing irradiating waste. The initial aim of this study was to determine if autotrophic bacterial growth was possible in this basin. A major bacteria was isolated (Ralstonia sp. GGLH002) which was able to grow autotrophically with hydrogen as the electron donor and oxygen as the electron acceptor, and heterotrophically with organic nutrients. Its hydrogenase activity has been characterized. We focused then our study on the effects of this strain on 304L AISI stainless steel depending on the nutrient source used for bacterial development, e.g hydrogen or organics. In conclusion, the mechanism of passivation enhanced by Ralstonia sp. GGLH002 on AISI 304L SS still remains unknown. Several techniques could give substantial information, including XPS and polarization curves. It seems for the moment that the major bacteria inhabiting an oxic environment containing hydrogen due to radiolysis is not aggressive to stainless steel in conditions near from its environment. Further investigations are needed to test this hypothesis, including a study of the molecular diversity of the bacteria using culture-independent techniques, as cultivatable bacterial populations represent in general only a fraction of the total bacteria. (authors)

Stoichiometric titanium dioxide ion implantation in AISI 304 stainless steel for corrosion protection

International Nuclear Information System (INIS)

Hartwig, A.; Decker, M.; Klein, O.; Karl, H.

2015-01-01

The aim of this study is to evaluate the applicability of highly chemically inert titanium dioxide synthesized by ion beam implantation for corrosion protection of AISI 304 stainless steel in sodium chloride solution. More specifically, the prevention of galvanic corrosion between carbon-fiber reinforced plastic (CFRP) and AISI 304 was investigated. Corrosion performance of TiO 2 implanted AISI 304 – examined for different implantation and annealing parameters – is strongly influenced by implantation fluence. Experimental results show that a fluence of 5 × 10 16 cm −2 (Ti + ) and 1 × 10 17 cm −2 (O + ) is sufficient to prevent pitting corrosion significantly, while galvanic corrosion with CFRP can already be noticeably reduced by an implantation fluence of 5 × 10 15 cm −2 (Ti + ) and 1 × 10 16 cm −2 (O + ). Surface roughness, implantation energy and annealing at 200 °C and 400 °C show only little influence on the corrosion behavior. TEM analysis indicates the existence of stoichiometric TiO 2 inside the steel matrix for medium fluences and the formation of a separated metal oxide layer for high fluences.

Improving the corrosion wear resistance of AISI 316L stainless steel by particulate reinforced Ni matrix composite alloying layer

Science.gov (United States)

Xu, Jiang; Zhuo, Chengzhi; Tao, Jie; Jiang, Shuyun; Liu, Linlin

2009-01-01

In order to overcome the problem of corrosion wear of AISI 316L stainless steel (SS), two kinds of composite alloying layers were prepared by a duplex treatment, consisting of Ni/nano-SiC and Ni/nano-SiO2 predeposited by brush plating, respectively, and subsequent surface alloying with Ni-Cr-Mo-Cu by a double glow process. The microstructure of the two kinds of nanoparticle reinforced Ni-based composite alloying layers was investigated by means of SEM and TEM. The electrochemical corrosion behaviour of composite alloying layers compared with the Ni-based alloying layer and 316L SS under different conditions was characterized by potentiodynamic polarization test and electrochemical impedance spectroscopy. Results showed that under alloying temperature (1000 °C) conditions, amorphous nano-SiO2 particles still retained the amorphous structure, whereas nano-SiC particles were decomposed and Ni, Cr reacted with SiC to form Cr6.5Ni2.5Si and Cr23C6. In static acidic solution, the corrosion resistance of the composite alloying layer with the brush plating Ni/nano-SiO2 particles interlayer is lower than that of the Ni-based alloying layer. However, the corrosion resistance of the composite alloying layer with the brush plating Ni/nano-SiO2 particles interlayer is prominently superior to that of the Ni-based alloying layer under acidic flow medium condition and acidic slurry flow condition. The corrosion resistance of the composite alloying layer with the brush plating Ni/nano-SiC particles interlayer is evidently lower than that of the Ni-based alloying layer, but higher than that of 316L SS under all test conditions. The results show that the highly dispersive nano-SiO2 particles are helpful in improving the corrosion wear resistance of the Ni-based alloying layer, whereas carbides and silicide phase are deleterious to that of the Ni-based alloying layer due to the fact that the preferential removal of the matrix around the precipitated phase takes place by the chemical

IR and Raman spectra of LaH(SeO3)2 and FeH(SeO3)2

International Nuclear Information System (INIS)

Ratheesh, R.; Suresh, G.; Nayar, V.U.; Morris, R.E.

1995-01-01

The infrared and Raman spectra of LaH(SeO 3 ) 2 and FeH(SeO 3 ) 2 crystals are recorded and analysed. Bands confirm the coexistence of HSeO 3 - and SeO 3 2- ions in both LaH(SeO 3 ) 2 and FeH(SeO 3 ) 2 crystals. The Se-OH stretching vibrations are observed to be at lower wavenumbers in LaH(SeO 3 ) 2 than that in the iron compound in agreement with the short O-O distance in the former. Observed bands indicate that the SeO 3 2- ions are more angularly distorted in FeH(SeO 3 ) 2 crystal. ABC bands, characteristic of strong hydrogen bonded systems are observed in the infrared spectra of both the crystals. (author). 15 refs., 2 figs., 1 tab

Hydrogen constituents of the mesosphere inferred from positive ions - H2O, CH4, H2CO, H2O2, and HCN

Science.gov (United States)

Kopp, E.

1990-01-01

The concentrations in the mesosphere of H2O, CH4, H2CO, H2O2, and HCN were inferred from data on positive ion compositions, obtained from one mid-latitude and four high-latitude rocket flights. The inferred concentrations were found to agree only partially with the ground-based microwave measurements and/or model prediction by Garcia and Solomon (1985). The CH4 concentration was found to vary between 70 and 4 ppb in daytime and 900 and 100 ppbv at night, respectively. Unexpectedly high H2CO concentrations were obtained, with H2CO/H2O ratios between 0.0006 and 0.1, and a mean HCN volume mixing ratio of 6 x 10 to the -10th was inferred.

The electrochemical behaviour of stainless steel AISI 304 in alkaline solutions with different pH in the presence of chlorides

International Nuclear Information System (INIS)

Freire, L.; Carmezim, M.J.; Ferreira, M.G.S.; Montemor, M.F.

2011-01-01

Highlights: → The passivation and passivation breakdown of AISI 304 in alkaline solutions with different pH was studied. → The electrochemical behaviour and the corrosion resistance in chloride environments were evaluated using d.c. potentiodynamic polarization and electrochemical impedance spectroscopy. → The results were modelled using a hierarchically distributed circuit and revealed a more susceptible surface at pH 9. → The passive film characterization was carried out by SEM and EDS analysis, revealing the existence of MnS inclusions and the increase of Cr/Fe ratio in the attacked areas, preferably the vicinity of those inclusions. - Abstract: Nowadays, stainless steel reinforcements appear as an effective solution to increase the durability of reinforced concrete structures exposed to very aggressive environments. AISI 304 is widely used for this purpose. Although the improved durability of reinforcing AISI 304, when compared to carbon steel, there is a high probability of pitting susceptibility in the presence of chlorides. Thus, the present work aims at studying the passivation and passivation breakdown of AISI 304 in alkaline solutions of different pH (pH from 13 to 9), simulating the interstitial concrete electrolyte. These solutions were contaminated with different concentrations of chloride ions (3% and 10%, as NaCl). The electrochemical behaviour was evaluated by d.c. potentiodynamic polarization and by electrochemical impedance spectroscopy (EIS). The morphological features and the changes observed in the surface composition were evaluated by Scanning Electron Microscopy (SEM) together with EDS chemical analysis. The results evidence that pH plays an important role in the evolution of the film resistance and charge transfer processes. Moreover, the effect is highly dependent upon the chloride content and immersion time.

H2O2 induced cost effective microwave disintegration of dairy waste activated sludge in acidic environment for efficient biomethane generation.

Science.gov (United States)

Eswari, A Parvathy; Kavitha, S; Banu, J Rajesh; Karthikeyan, O Parthiba; Yeom, Ick-Tae

2017-11-01

This study aimed to improve the biomethane potential of dairy waste activated sludge (WAS) by H 2 O 2 -acidic pH induced microwave disintegration (HAMW-D) pretreatment approach. The results of HAMW-D compared with the microwave disintegration (MW-D) alone for energy and economic factors. In the two phase disintegration process, the H 2 O 2 concentration of about 0.5mg/g SS under acid pH of 5 was found to be optimum for effective dissociation of Extracellular Polymeric Substances (EPS) matrix. A higher liquefaction of about 46.6% was achieved in HAMW-D when compared to that of MW-D (30%). It subsequently improved the methane yield of about 250mL/g VS in HAMW-D, which was 9.6% higher than MW-D. A net profit of about 49€/ton was achieved for HAMW-D, therefore it is highly recommended for WAS pretreatment. Copyright © 2017 Elsevier Ltd. All rights reserved.

The crystal structure of galgenbergite-(Ce), CaCe2(CO3)4•H2O

Science.gov (United States)

Walter, Franz; Bojar, Hans-Peter; Hollerer, Christine E.; Mereiter, Kurt

2013-04-01

Galgenbergite-(Ce) from the type locality, the railroad tunnel Galgenberg between Leoben and St. Michael, Styria, Austria, was investigated. There it occurs in small fissures of an albite-chlorite schist as very thin tabular crystals building rosette-shaped aggregates associated with siderite, ancylite-(Ce), pyrite and calcite. Electron microprobe analyses gave CaO 9.49, Ce2O3 28.95, La2O3 11.70, Nd2O3 11.86, Pr2O3 3.48, CO2 30.00, H2O 3.07, total 98.55 wt.%. CO2 and H2O calculated by stoichiometry. The empirical formula (based on Ca + REE ∑3.0) is C{{a}_{1.00 }}{{( {C{{e}_{1.04 }}L{{a}_{0.42 }}N{{d}_{0.42 }}P{{r}_{0.12 }}} )}_{2.00 }}{{( {C{{O}_3}} )}_4}\\cdot {{H}_2}O , and the simplified formula is CaC{{e}_2}{{( {C{{O}_3}} )}_4}\\cdot {{H}_2}O . According to X-ray single crystal diffraction galgenbergite-(Ce) is triclinic, space group Poverline{1},a=6.3916(5) , b = 6.4005(4), c = 12.3898(9) Å, α = 100.884(4), β = 96.525(4), γ = 100.492(4)°, V = 483.64(6) Å3, Z = 2. The eight strongest lines in the powder X-ray diffraction pattern are [ d calc in Å/( I)/ hkl]: 5.052/(100)/011; 3.011/(70)/0-22; 3.006/(66)/004; 5.899/(59)/-101; 3.900/(51)/1-12; 3.125/(46)/-201; 2.526/(42)/022; 4.694/(38)/-102. The infrared absorption spectrum reveals H2O (OH-stretching mode at 3,489 cm-1, HOH bending mode at 1,607 cm-1) and indicates the presence of distinctly non-equivalent CO3-groups by double and quadruple peaks of their ν1, ν2, ν3 and ν4 modes. The crystal structure of galgenbergite-(Ce) was refined with X-ray single crystal data to R1 = 0.019 for 2,448 unique reflections ( I > 2 σ( I)) and 193 parameters. The three cation sites of the structure Ca(1), Ce(2) and Ce(3) have a modest mixed site occupation by Ca and small amount of REE (Ce, La, Pr, Nd) and vice versa. The structure is based on double layers parallel to (001), which are composed of Ca(1)Ce(2)(CO3)2 single layers with an ordered chessboard like arrangement of Ca and Ce, and with a roof tile

Inductive plasma source for the ion treatment of AISI-304 SS

International Nuclear Information System (INIS)

Piedad-Beneitez, A de la; Lopez-Callejas, R; Granda-Gutierrez, E E; Rodriguez-Mendez, B G; Perez-Martinez, J A; Flores-Fuentes, A A; Valencia-Alvarado, R; Barocio, S R; Mercado-Cabrera, A; Pena-Eguiluz, R; Munoz-Castro, A E

2008-01-01

The design and construction of a simple inductive plasma source is described as constituted by an evacuated Pyrex glass cylinder reactor with 190 mm inner diameter and 500 mm length. This discharge vessel is coaxially surrounded by a cylindrically wound antenna, 240 mm in diameter, made of 3.2 mm wide copper wire. The antenna is supplied by a 13.56 MHz RF generator whose resulting electric field is able to create the plasma. When nitrogen is admitted to the vessel, the plasma generation takes place within the 0.1-50 Pa work pressure and 300-600 W RF power. The plasma density has been established by double Langmuir probes between 3.2 x 10 15 and 2.4 x 10 18 m -3 . This inductive plasma set up is meant to modify the surface of AISI-304 stainless steel by means of ion deposition, thanks to the sample bias provided by an external - 400 V dc supply, in order to improve the steel hardness without compromising its corrosion resistance. Once accelerated by the negative bias, the plasma ions impinge on the sample nitriding it by diffusion. The treated samples were characterized by x-ray diffraction (XRD) indicating the formation of the expanded gamma phase, by scanning electron microscopy (SEM) providing the atomic percentages of nitrogen, and by microhardness (HV) measurement.

Comparison among creep rupture strength extrapolation methods with application to data for AISI 316 SS from Italy, France, U.K. and F.R.G

International Nuclear Information System (INIS)

Brunori, G.; Cappellato, S.; Vacchiano, S.; Guglielmi, F.

1982-01-01

Inside Activity 3 ''Materials'' of WGCS, the member states UK and FRG have developed a work regarding extrapolation methods for creep data. This work has been done by comparising extrapolation methods in use in their countries by applying them to creep rupture strength data on AISI 316 SS obtained in UK and FRG. This work has been issued on April 1978 and the Community has dealed it to all Activity 3 Members. Italy, in the figure of NIRA S.p.A., has received, from the European Community a contract to extend the work to Italian and French data, using extrapolation methods currently in use in Italy. The work should deal with the following points: - Collect of Italian experimental data; - Chemical analysis on Italian Specimen; - Comparison among Italian experimental data with French, FRG and UK data; - Description of extrapolation methods in use in Italy; - Application of these extrapolation methods to Italian, French, British and Germany data; - Extensions of a Final Report

Structure of LaH(PO3H)2.3H2O

International Nuclear Information System (INIS)

Loukili, M.; Durand, J.; Larbot, A.; Cot, L.; Rafiq, M.

1991-01-01

Lanthanum hydrogen bis(hydrogenphosphite) trihydrate, LaH(Po 3 H) 2 .3H 2 O, M r =353.8, monoclinic, P2 1 /c, a=9.687 (3), b=7.138 (2), c=13.518 A, β=104.48 (3) deg, V=905.0 (5) A 3 , Z=4, D m =2.56 (2), D x =2.598 Mg m -3 , λ(MoKα)=0.71073 A, μ(MoKα)=5.103 mm -1 , F(000)=672, T=300 K, R=0.032 for 1018 independent observed reflections. The structure contains two phosphite anions connected by a hydrogen bond. The La 3+ cation is eight coordinated by seven O atoms from phosphite anions and one O atom of a water molecule. (orig.)

Competition between weak OH···π and CH··O hydrogen bonds: THz spectroscopy of the C2H2—H2O and C2H4—H2O complexes

DEFF Research Database (Denmark)

Andersen, Jonas; Heimdal, Jimmy; Nelander, B.

2017-01-01

an intermolecular CH⋯O hydrogen-bonded configuration of C2v symmetry with the H2O subunit acting as the hydrogen bond acceptor. The observation and assignment of two large-amplitude donor OH librational modes of the C2H4—H2O complex at 255.0 and 187.5 cm−1, respectively, confirms an intermolecular OH⋯π hydrogen...

Using H2O2 as oxidant in leaching of uranium ores. The new research on the reaction of H2O2 with Fe2+

International Nuclear Information System (INIS)

Gao Xizhen

1997-05-01

The new research on the reaction of H 2 O 2 with Fe 2+ has been studied. Through determining the electric potential, pH and O 2 release during the mutual titration between H 2 O 2 solution and FeSO 4 solution, deduced the chemical equations of H 2 O 2 (without free hydroxyl) oxidizing FeSO 4 and Fe 2 (SO 4 ) 3 oxidizing H 2 O 2 . The research results show that acid is a catalytic agent for decomposing H 2 O 2 to be O 2 and H 2 O besides iron ions. The maximum oxidizing potential is up to about 640 mV. While using H 2 O 2 as an oxidant in uranium heap leaching and in-situ leaching, controlling electric potential can be regarded as a method for adjusting the feeding speed of H 2 O 2 to keep the electric potential below 500 mV, thus the H 2 O 2 decomposition can be reduced. (13 refs., 3 tabs., 1 fig.)

Simultaneous stabilization/solidification of Mn2+ and NH4+-N from electrolytic manganese residue using MgO and different phosphate resource.

Science.gov (United States)

Shu, Jiancheng; Wu, Haiping; Liu, Renlong; Liu, Zuohua; Li, Bing; Chen, Mengjun; Tao, Changyuan

2018-02-01

This study examined simultaneous stabilization and solidification (S/S) of Mn 2+ and NH 4 + -N from electrolytic manganese residue (EMR) using MgO and different phosphate resource. The characteristics of EMR NH 4 + -N and Mn 2+ S/S behavior, S/S mechanisms, leaching test and economic analysis, were investigated. The results show that the S/S efficiency of Mn 2+ and NH 4 + -N could reach 91.58% and 99.98%, respectively, and the pH value is 8.75 when the molar ratio of Mg:P is 3:1 and the dose of PM (MgO and Na 3 PO 4 ·12H 2 O) is 8wt%. In this process, Mn 2+ could mainly be stabilized in the forms of Mn(H 2 PO 4 ) 2 ·2H 2 O, Mn 3 (PO 4 ) 2 ·3H 2 O, Mn(OH) 2 , and MnOOH, and NH 4 + -N in the form of NH 4 MgPO 4 ·6H 2 O. Economic evaluation indicates that using PM process has a lower cost than HPM and HOM process for the S/S of Mn 2+ and NH 4 + -N from EMR at the same stabilization agent dose. Leaching test values of all the measured metals are within the permitted level for the GB8978-1996 test suggested when the dose of PM, HPM and HOM is 8wt%. Copyright © 2017 Elsevier Inc. All rights reserved.

Vibrational spectra of Cs2Cu(SO4)2·6H2O and Cs2Cu(SeO4)2·nH2O (n = 4, 6) with a crystal structure determination of the Tutton salt Cs2Cu(SeO4)2·6H2O

Science.gov (United States)

Wildner, M.; Marinova, D.; Stoilova, D.

2016-02-01

The solubility in the three-component systems Cs2SO4-CuSO4-H2O and Cs2SeO4-CuSeO4-H2O have been studied at 25 °C. The experimental results show that double salts, Cs2Cu(SO4)2·6H2O and Cs2Cu(SeO4)2·4H2O, crystallize from the ternary solutions within large concentration ranges. Crystals of Cs2Cu(SeO4)2·6H2O were synthesized at somewhat lower temperatures (7-8 °C). The thermal dehydration of the title compounds was studied by TG, DTA and DSC methods and the respective dehydration schemes are proposed. The calculated enthalpies of dehydration (ΔHdeh) have values of: 434.2 kJ mol-1 (Cs2Cu(SeO4)2·6H2O), 280.9 kJ mol-1 (Cs2Cu(SeO4)2·4H2O), and 420.2 kJ mol-1 (the phase transition of Cs2Cu(SO4)2·6H2O into Cs2Cu(SO4)2·H2O). The crystal structure of Cs2Cu(SeO4)2ṡ6H2O was determined from single crystal X-ray diffraction data. It belongs to the group of Tutton salts, crystallizing isotypic to the respective sulfate in a monoclinic structure which is characterized by isolated Cu(H2O)6 octahedra and SeO4 tetrahedra, interlinked by hydrogen bonds and [9]-coordinated Cs+ cations. Infrared spectra of the cesium copper compounds are presented and discussed with respect to both the normal modes of the tetrahedral ions and the water molecules. The analysis of the infrared spectra of the double compounds reveals that the distortion of the selenate tetrahedra in Cs2Cu(SeO4)2·4H2O is stronger than those in Cs2Cu(SeO4)2·6H2O in agreement with the structural data. Matrix-infrared spectroscopy was applied to confirm this claim - Δν3 for SO4 2 - ions matrix-isolated in Cs2Cu(SeO4)2·6H2O has a value of 35 cm-1 and that of the same ions included in Cs2Cu(SeO4)2·4H2O - 84 cm-1. This spectroscopic finding is due to the formation of strong covalent bands Cu-OSO3 on one hand, and on the other to the stronger deformation of the host SeO4 2 - tetrahedra in Cs2Cu(SeO4)2·4H2O as compared to those in Cs2Cu(SeO4)2·6H2O. The strength of the hydrogen bonds as deduced from the

Syntheses, crystal structures, and properties of the isotypic pair [Cr(H{sub 2}O){sub 6}]{sub 2}[B{sub 12}H{sub 12}]{sub 3}.15H{sub 2}O and [In(H{sub 2}O){sub 6}]{sub 2}[B{sub 12}H{sub 12}]{sub 3}.15H{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Van, Nguyen-Duc; Kleeberg, Fabian M.; Schleid, Thomas [Institut fuer Anorganische Chemie, Universitaet Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany)

2015-11-15

Single crystals of [Cr(H{sub 2}O){sub 6}]{sub 2}[B{sub 12}H{sub 12}]{sub 3}.15H{sub 2}O and [In(H{sub 2}O){sub 6}]{sub 2}[B{sub 12}H{sub 12}]{sub 3}.15H{sub 2}O were obtained by reactions of aqueous solutions of the acid (H{sub 3}O){sub 2}[B{sub 12}H{sub 12}] with chromium(III) hydroxide and indium metal shot, respectively. The title compounds crystallize isotypically in the trigonal system with space group R anti 3c (a = 1157.62(3), c = 6730.48(9) pm for the chromium, a = 1171.71(3), c = 6740.04(9) pm for the indium compound, Z = 6). The arrangement of the quasi-icosahedral [B{sub 12}H{sub 12}]{sup 2-} dianions can be considered as stacking of two times nine layers with the sequence..ABCCABBCA.. and the metal trications arrange in a cubic closest packed..abc.. stacking sequence. The metal trications are octahedrally coordinated by six water molecules of hydration, while another fifteen H{sub 2}O molecules fill up the structures as zeolitic crystal water or second-sphere hydrating species. Between these free and the metal-bonded water molecules, bridging hydrogen bonds are found. Furthermore, there is also evidence of hydrogen bonding between the anionic [B{sub 12}H{sub 12}]{sup 2-} clusters and the free zeolitic water molecules according to B-H{sup δ-}..{sup δ+}H-O interactions. Vibrational spectroscopy studies prove the presence of these hydrogen bonds and also show slight distortions of the dodecahydro-closo-dodecaborate anions from their ideal icosahedral symmetry (I{sub h}). Thermal decomposition studies for the example of [Cr(H{sub 2}O){sub 6}]{sub 2}[B{sub 12}H{sub 12}]{sub 3}.15H{sub 2}O gave no hints for just a simple multi-stepwise dehydration process. (Copyright copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

[Mechanism and performance of styrene oxidation by O3/H2O2].

Science.gov (United States)

He, Jue-Cong; Huang, Qian-Ru; Ye, Qi-Hong; Luo, Yu-Wei; Zhang, Zai-Li; Fan, Qing-Juan; Wei, Zai-Shan

2013-10-01

It can produce a large number of free radicals in O3/H2O2, system, ozone and free radical coupling oxidation can improve the styrene removal efficiency. Styrene oxidation by O3/H2O2 was investigated. Ozone dosage, residence time, H2o2 volume fraction, spray density and molar ratio of O3/C8H8 on styrene removal were evaluated. The experimental results showed that styrene removal efficiency achieved 85.7%. The optimal residence time, H2O2, volume fraction, spray density and O3/C8H8 molar ratio were 20. 6 s, 10% , 1.72 m3.(m2.h)-1 and 0.46, respectively. The gas-phase degradation intermediate products were benzaldehyde(C6H5CHO) and benzoic acid (C6H5 COOH) , which were identified by means of gas chromatography-mass spectrometry(GC-MS). The degradation mechanism of styrene is presented.

Mechanical properties of similar and dissimilar weldments of RAFMS and AISI 316L (N) SS prepared by electron beam welding process

Energy Technology Data Exchange (ETDEWEB)

Albert, S.K., E-mail: shaju@igcar.gov.in [Indira Gandhi Center for Atomic Research, Kalpakkam 603 102 (India); Das, C.R. [Indira Gandhi Center for Atomic Research, Kalpakkam 603 102 (India); Sam, Shiju [Institute of Plasma Research, Gandhi Nagar (India); Mastanaiah, P.; Patel, M. [Defence Research and Development Laboratory, Hyderabad (India); Bhaduri, A.K.; Jayakumar, T. [Indira Gandhi Center for Atomic Research, Kalpakkam 603 102 (India); Murthy, C.V.S. [Defence Research and Development Laboratory, Hyderabad (India); Kumar, Rajendra [Institute of Plasma Research, Gandhi Nagar (India)

2014-10-15

Highlights: • Increase of W content in RAFM steel can result in retention of delta ferrite in the EB weld of the steel. • Presence of delta ferrite seems to affect the ductile brittle transition temperature of the weld metal. • There is improper mixing of the two base metals in the fusion zone dissimilar welds of RAFM steel and austenitic stainless steel made by EB welding. - Abstract: Effect of weld metal composition on microstructure and toughness of weld metal is studied in this paper. Weld joints of reduced activation ferritic/martensitic (RAFM) steel containing 1.0 and 1.4 wt.% W were prepared using electron beam welding (EBW) process. Dissimilar weld joints between 1.0 wt.% W RAFM steel and AISI 316L (N) SS were also prepared using EBW process. The effect of post weld heat treatment (PWHT) temperatures on microstructure and mechanical properties was also studied. Microstructural observation reveals delta–ferrite in 1.4 wt.% W containing weld metal, which is absent in 1.0 wt.% W weld metal. In the case of the dissimilar weld metal, microstructure shows presence of lath martensite and retained austenite. Austenite was stable even after PWHT and its presence is attributed to high nickel (5–6 wt.%) content in the dissimilar weld metal. Hardness of RAFM steel weld metal was found to be 270–290 VHN after PWHT at 750 °C for 2 h. Impact toughness of both 1.0 and 1.4 wt.% W RAFM steel is high (>250 J) at ambient temperature. However, after PWHT, variation of toughness with temperature is more drastic for 1.4 wt.% W RAFM steel weld metal than the other. As a result, ductile brittle transition temperature (DBTT) for the 1.4 wt.% steel weld metal is close to 0 °C while that of the 1.0 wt.% W steel is close to that of the base metal (∼−80 °C)

Parsec-scale Variations in the "7Li i/"6Li i Isotope Ratio Toward IC 348 and the Perseus OB 2 Association

International Nuclear Information System (INIS)

Knauth, D. C.; Taylor, C. J.; Federman, S. R.; Ritchey, A. M.; Lambert, D. L.

2017-01-01

Measurements of the lithium isotopic ratio in the diffuse interstellar medium from high-resolution spectra of the Li i λ 6708 resonance doublet have now been reported for a number of lines of sight. The majority of the results for the "7Li/"6Li ratio are similar to the solar system ratio of 12.2, but the line of sight toward o Per, a star near the star-forming region IC 348, gave a ratio of about two, the expected value for gas exposed to spallation and fusion reactions driven by cosmic rays. To examine the association of IC 348 with cosmic rays more closely, we measured the lithium isotopic ratio for lines of sight to three stars within a few parsecs of o Per. One star, HD 281159, has "7Li/"6Li ≃ 2 confirming production by cosmic rays. The lithium isotopic ratio toward o Per and HD 281159 together with published analyses of the chemistry of interstellar diatomic molecules suggest that the superbubble surrounding IC 348 is the source of the cosmic rays.

Stoichiometric titanium dioxide ion implantation in AISI 304 stainless steel for corrosion protection

Energy Technology Data Exchange (ETDEWEB)

Hartwig, A.; Decker, M.; Klein, O.; Karl, H., E-mail: helmut.karl@physik.uni-augsburg.de

2015-12-15

The aim of this study is to evaluate the applicability of highly chemically inert titanium dioxide synthesized by ion beam implantation for corrosion protection of AISI 304 stainless steel in sodium chloride solution. More specifically, the prevention of galvanic corrosion between carbon-fiber reinforced plastic (CFRP) and AISI 304 was investigated. Corrosion performance of TiO{sub 2} implanted AISI 304 – examined for different implantation and annealing parameters – is strongly influenced by implantation fluence. Experimental results show that a fluence of 5 × 10{sup 16} cm{sup −2} (Ti{sup +}) and 1 × 10{sup 17} cm{sup −2} (O{sup +}) is sufficient to prevent pitting corrosion significantly, while galvanic corrosion with CFRP can already be noticeably reduced by an implantation fluence of 5 × 10{sup 15} cm{sup −2} (Ti{sup +}) and 1 × 10{sup 16} cm{sup −2} (O{sup +}). Surface roughness, implantation energy and annealing at 200 °C and 400 °C show only little influence on the corrosion behavior. TEM analysis indicates the existence of stoichiometric TiO{sub 2} inside the steel matrix for medium fluences and the formation of a separated metal oxide layer for high fluences.

Vibrational spectroscopy of NO^+(H_2O)_n: Evidence for the intracluster reaction NO^+(H_2O)_n→H_3O^+(H_2O)_(n-2)(HONO) at n≥4

OpenAIRE

Choi, Jong-Ho; Kuwata, Keith T.; Haas, Bernd-Michael; Cao, Yibin; Johnson, Matthew S.; Okumura, Mitchio

1994-01-01

Infrared spectra of mass‐selected clusters NO^+(H_2O)_n for n=1 to 5 were recorded from 2700 to 3800 cm^(−1) by vibrational predissociation spectroscopy. Vibrational frequencies and intensities were also calculated for n=1 and 2 at the second‐order Møller–Plesset (MP2) level, to aid in the interpretation of the spectra, and at the singles and doubles coupled cluster (CCSD) level energies of n=1 isomers were computed at the MP2 geometries. The smaller clusters (n=1 to 3) were complexes of H_2O...

Does residual H2O2 result in inhibitory effect on enhanced anaerobic digestion of sludge pretreated by microwave-H2O2 pretreatment process?

Science.gov (United States)

Liu, Jibao; Jia, Ruilai; Wang, Yawei; Wei, Yuansong; Zhang, Junya; Wang, Rui; Cai, Xing

2017-04-01

This study investigated the effects of residual H 2 O 2 on hydrolysis-acidification and methanogenesis stages of anaerobic digestion after microwave-H 2 O 2 (MW-H 2 O 2 ) pretreatment of waste activated sludge (WAS). Results showed that high sludge solubilization at 35-45 % was achieved after pretreatment, while large amounts of residual H 2 O 2 remained and refractory compounds were thus generated with high dosage of H 2 O 2 (0.6 g H 2 O 2 /g total solids (TS), 1.0 g H 2 O 2 /g TS) pretreatment. The residual H 2 O 2 not only inhibited hydrolysis-acidification stage mildly, such as hydrolase activity, but also had acute toxic effect on methanogens, resulting in long lag phase, low methane yield rate, and no increase of cumulative methane production during the 30-day BMP tests. When the low dosage of H 2 O 2 at 0.2 g H 2 O 2 /g TS was used in MW-H 2 O 2 pretreatment, sludge anaerobic digestion was significantly enhanced. The cumulative methane production increased by 29.02 %, but still with a lag phase of 1.0 day. With removing the residual H 2 O 2 by catalase, the initial lag phase of hydrolysis-acidification stage decreased from 1.0 to 0.5 day.

Complexing in (NH4)2SeO4-UO2SeO4 H2O system

International Nuclear Information System (INIS)

Serezhkina, L.B.

1994-01-01

Isotherm of solubility in the (NH 4 ) 2 SeO 4 -UO 2 SeO 4 -H 2 O system has been constructed at 25 deg C. (NH 4 ) 2 (UO 2 ) 2 (SeO 4 ) 3 x6H 2 O formation is established for the first time and certain its physicochemical properties are determined. Regularities of complexing in the R 2 Se) 4 -UO 2 SeO 4 -H 2 O systems, where R-univalent cation are under discussion. 6 refs.; 3 tabs

LiOH - H2O2 - H2O trinary system study for the selection of optimal conditions of lithium peroxide synthesis

International Nuclear Information System (INIS)

Nefedov, R A; Ferapontov, Yu A; Kozlova, N P

2016-01-01

Using solubility method the decay kinetics of peroxide products contained in liquid phase of LiOH - H 2 O 2 - H 2 O trinary system with 2 to 6% by wt hydrogen peroxide content in liquid phase in 21 to 33 °C temperature range has been studied. Conducted studies have allowed to determine temperature and concentration limits of solid phase existence of Li 2 O 2 ·H 2 O content, distinctness of which has been confirmed using chemical and qualitative X- ray phase analysis. Stabilizing effect of solid phase of Li 2 O 2 ·H 2 O content on hydrogen peroxide decay contained in liquid phase of LiOH - H 2 O 2 - H 2 O trinary system under conditions of experiments conducted has been shown. (paper)

LiOH - H2O2 - H2O trinary system study for the selection of optimal conditions of lithium peroxide synthesis

Science.gov (United States)

Nefedov, R. A.; Ferapontov, Yu A.; Kozlova, N. P.

2016-01-01

Using solubility method the decay kinetics of peroxide products contained in liquid phase of LiOH - H2O2 - H2O trinary system with 2 to 6% by wt hydrogen peroxide content in liquid phase in 21 to 33 °C temperature range has been studied. Conducted studies have allowed to determine temperature and concentration limits of solid phase existence of Li2O2·H2O content, distinctness of which has been confirmed using chemical and qualitative X- ray phase analysis. Stabilizing effect of solid phase of Li2O2·H2O content on hydrogen peroxide decay contained in liquid phase of LiOH - H2O2 - H2O trinary system under conditions of experiments conducted has been shown.

Combined use of O3/H2O2 and O3/Mn2+ in flotation of dairy wastewater

Directory of Open Access Journals (Sweden)

Marta Cristina Silva Carvalho

2018-05-01

Full Text Available This work investigated the degradation of organic matter present in synthetic dairy wastewater by the combination of ozonation (ozone (O3/hydrogen peroxide (H2O2 and catalytic ozonation (ozone (O3/manganese (Mn2+ associated with dispersed air flotation process. The effect of independent factors such as O3 concentration, pH and H2O2 and Mn2+ concentration was evaluated. For the flotation/O3/H2O2 treatment, the significant variables (p ≤ 0.05 were: O3 concentration (linear and quadratic effect, H2O2 concentration linear and quadratic effect, pH values (linear and quadratic effect and interaction O3 concentration versus pH. For catalytic ozonation, it was observed that the significant variable was the linear effect of O3 concentration. According to the desirability function, it was concluded that the optimal condition for the treatment of flotation/O3/H2O2 can be obtained in acidic solution using O3 concentrations greater than 42.9 mg L-1 combined with higher concentrations of H2O2 to 1071.5 mg L-1. On other hand, at pH values higher than 9.0, the addition of O3 may be neglected when using higher concentrations than 1071.5 mg L-1 of H2O2. For flotation/ozonation catalyzed by Mn2+, it was observed that metal addition did not affect treatment, resulting in an optimum condition: 53.8 mg L-1 of O3 and pH 3.6.

Modeling of the flow stress for AISI H13 Tool Steel during Hard Machining Processes

Science.gov (United States)

Umbrello, Domenico; Rizzuti, Stefania; Outeiro, José C.; Shivpuri, Rajiv

2007-04-01

In general, the flow stress models used in computer simulation of machining processes are a function of effective strain, effective strain rate and temperature developed during the cutting process. However, these models do not adequately describe the material behavior in hard machining, where a range of material hardness between 45 and 60 HRC are used. Thus, depending on the specific material hardness different material models must be used in modeling the cutting process. This paper describes the development of a hardness-based flow stress and fracture models for the AISI H13 tool steel, which can be applied for range of material hardness mentioned above. These models were implemented in a non-isothermal viscoplastic numerical model to simulate the machining process for AISI H13 with various hardness values and applying different cutting regime parameters. Predicted results are validated by comparing them with experimental results found in the literature. They are found to predict reasonably well the cutting forces as well as the change in chip morphology from continuous to segmented chip as the material hardness change.

Modeling of the flow stress for AISI H13 Tool Steel during Hard Machining Processes

International Nuclear Information System (INIS)

Umbrello, Domenico; Rizzuti, Stefania; Outeiro, Jose C.; Shivpuri, Rajiv

2007-01-01

In general, the flow stress models used in computer simulation of machining processes are a function of effective strain, effective strain rate and temperature developed during the cutting process. However, these models do not adequately describe the material behavior in hard machining, where a range of material hardness between 45 and 60 HRC are used. Thus, depending on the specific material hardness different material models must be used in modeling the cutting process. This paper describes the development of a hardness-based flow stress and fracture models for the AISI H13 tool steel, which can be applied for range of material hardness mentioned above. These models were implemented in a non-isothermal viscoplastic numerical model to simulate the machining process for AISI H13 with various hardness values and applying different cutting regime parameters. Predicted results are validated by comparing them with experimental results found in the literature. They are found to predict reasonably well the cutting forces as well as the change in chip morphology from continuous to segmented chip as the material hardness change

Synthesis and crystal structure of new uranyl selenite(IV)-selenate(VI) [C5H14N][(UO2)3(SeO4)4(HSeO3)(H2O)](H2SeO3)(HSeO4)

International Nuclear Information System (INIS)

Krivovichev, S.V.; Tananaev, I.G.; Myasoedov, B.F.; Kalenberg, V.

2006-01-01

Crystals of new uranyl selenite(IV)-selenate(VI) [C 5 H 14 N][(UO 2 ) 3 (SeO 4 ) 4 (HSeO 3 )(H 2 O)](H 2 SeO 3 )(HSeO 4 ) are obtained by the method of evaporation from aqueous solutions. Compound has triclinic lattice, space group P1-bar, a=11.7068(9), b=14.8165(12), c=16.9766(15), α=73.899(6), β=76.221(7), γ=89.361(6) Deg, V=2743.0(4) A 3 , Z=2. Laminated complexes (UO 2 ) 3 (SeO 4 ) 4 (HSeO 3 )(H 2 O)] 3- are the basis of the structure. [HSe(VI)O 4 ] - , [H 2 Se(IV)O 3 ] complexes and protonated methylbutylamine cations are disposed between layers [ru

Application of H2O2 and H2O2/Fe0 in removal of Acid Red 18 dye from aqueous solutions

Directory of Open Access Journals (Sweden)

Nazari Shahram

2013-08-01

Full Text Available Background & Aims of the Study: Organic dyes with a complex structure are often toxic, carcinogenic, mutagenic, non-biodegradation and stable in the environment and if released to the environment without treatment can endanger the environment and human health. The aim of this study was to evaluate the performance of H2O2 and H2O2/Fe0 Iron in removal of dye Acid Red 18 from aqueous solutions. Materials & Methods: This study was conducted at the laboratory scale. In this study, the removal efficiency of Acid Red 18 from a synthetic solution by H2O2 and H2O2/Fe0 was investigated. As well as Effect of solution pH, dye concentration, Concentration of Nanoscale Zero-Valent Iron, H2O2 and contact time in decolorization efficiency was investigated. Results: Results show that in pH=3, Contact time of 80 minutes, dye concentration of 50 mg/l and Concentration of Nanoscale Zero-Valent Iron of 2 g/l and H2O2 concentration equal to 200 mmol/l, the removal efficiency was about 98%. Conclusions: According to the results of experiments, H2O2/Fe0 has high efficiency in removal of Acid Red 18 from aqueous solution.

Analysis of T4SS-induced signaling by H. pylori using quantitative phosphoproteomics

Directory of Open Access Journals (Sweden)

Frithjof eGlowinski

2014-07-01

Full Text Available Helicobacter pylori is a Gram-negative bacterial pathogen colonizing the human stomach. Infection with H. pylori causes chronic inflammation of the gastric mucosa and may lead to peptic ulceration and/or gastric cancer. A major virulence determinant of H. pylori is the type IV secretion system (T4SS, which is used to inject the virulence factor CagA into the host cell, triggering a wide range of cellular signaling events. Here, we used a phosphoproteomic approach to investigate tyrosine signaling in response to host-pathogen interaction, using stable isotope labeling in cell culture (SILAC of AGS cells to obtain a differential picture between multiple infection conditions. Cells were infected with wild type H. pylori P12, a P12ΔCagA deletion mutant, and a P12ΔT4SS deletion mutant to compare signaling changes over time and in the absence of CagA or the T4SS. Tryptic peptides were enriched for tyrosine (Tyr phosphopeptides and analysed by nano-LC-Orbitrap MS. In total, 58 different phosphosites were found to be regulated following infection. The majority of phosphosites identified were kinases of the MAPK familiy. CagA and the T4SS were found to be key regulators of Tyr phosphosites. Our findings indicate that CagA primarily induces activation of ERK1 and integrin linked factors, whereas the T4SS primarily modulates JNK and p38 activation.

Tribological behavior of an austenitic stainless steel AISI 316L nitrurated by DC-pulsed plasma

International Nuclear Information System (INIS)

De Las Heras, E; Walther, F; Corengia, P.A; Quinteiro, M.O; Cabo, A; Bruhl, S; Sommadossi, S

2004-01-01

Austenitic stainless steels are widely used in different applications because they withstands corrosion. Ionic nitruration has proven to be an adequate technique for modifying this type of steel, in order to improve its resistance to wear without diminishing its resistance to corrosion. While many publications have reported improvements in the tribological properties of the nitrurated AISI 316, systematic studies that evaluate this behavior using industrial equipment for its thermochemical treatment are of interest. This work studied the tribological behavior of an AISI 316L steel nitrurated by DC pulsed plasma in an industrial machine in an atmosphere of 25% N 2 and 75% H 2 for 20 h at 400 o C by means of abrasion tests under different conditions in an A 135 Amsler-disk machine. In order to characterize the abraded samples microhardness, optic and scanning electron microscopy profiles to determine the abrasion mechanisms were performed. The results showed substantial improvement in the abrasion resistance of the nitrurated samples compared to the non nitrurated ones and the different abrasion mechanisms are discussed to explain the test results (CW)

Zoledronate complexes. III. Two zoledronate complexes with alkaline earth metals: [Mg(C(5)H(9)N(2)O(7)P(2))(2)(H(2)O)(2)] and [Ca(C(5)H(8)N(2)O(7)P(2))(H(2)O)](n).

Science.gov (United States)

Freire, Eleonora; Vega, Daniel R; Baggio, Ricardo

2010-06-01

Diaquabis[dihydrogen 1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato-kappa(2)O,O']magnesium(II), [Mg(C(5)H(9)N(2)O(7)P(2))(2)(H(2)O)(2)], consists of isolated dimeric units built up around an inversion centre and tightly interconnected by hydrogen bonding. The Mg(II) cation resides at the symmetry centre, surrounded in a rather regular octahedral geometry by two chelating zwitterionic zoledronate(1-) [or dihydrogen 1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonate] anions and two water molecules, in a pattern already found in a few reported isologues where the anion is bound to transition metals (Co, Zn and Ni). catena-Poly[[aquacalcium(II)]-mu(3)-[hydrogen 1-hydroxy-2-(imidazol-3-ium-1-yl)ethylidene-1,1-diphosphonato]-kappa(5)O:O,O':O',O''], [Ca(C(5)H(8)N(2)O(7)P(2))(H(2)O)](n), consists instead of a Ca(II) cation in a general position, a zwitterionic zoledronate(2-) anion and a coordinated water molecule. The geometry around the Ca(II) atom, provided by six bisphosphonate O atoms and one water ligand, is that of a pentagonal bipyramid with the Ca(II) atom displaced by 0.19 A out of the equatorial plane. These Ca(II) coordination polyhedra are ;threaded' by the 2(1) axis so that successive polyhedra share edges of their pentagonal basal planes. This results in a strongly coupled rhomboidal Ca(2)-O(2) chain which runs along [010]. These chains are in turn linked by an apical O atom from a -PO(3) group in a neighbouring chain. This O-atom, shared between chains, generates strong covalently bonded planar arrays parallel to (100). Finally, these sheets are linked by hydrogen bonds into a three-dimensional structure. Owing to the extreme affinity of zoledronic acid for bone tissue, in general, and with calcium as one of the major constituents of bone, it is expected that this structure will be useful in modelling some of the biologically interesting processes in which the drug takes part.

2D NiFe/CeO2 Basic-Site-Enhanced Catalyst via in-Situ Topotactic Reduction for Selectively Catalyzing the H2 Generation from N2H4·H2O.

Science.gov (United States)

Wu, Dandan; Wen, Ming; Gu, Chen; Wu, Qingsheng

2017-05-17

An economical catalyst with excellent selectivity and high activity is eagerly desirable for H 2 generation from the decomposition of N 2 H 4 ·H 2 O. Here, a bifunctional two-dimensional NiFe/CeO 2 nanocatalyst with NiFe nanoparticles (∼5 nm) uniformly anchored on CeO 2 nanosheets supports has been successfully synthesized through a dynamic controlling coprecipitation process followed by in-situ topotactic reduction. Even without NaOH as catalyst promoter, as-designed Ni 0.6 Fe 0.4 /CeO 2 nanocatalyst can show high activity for selectively catalyzing H 2 generation (reaction rate (mol N2H4 mol -1 NiFe h -1 ): 5.73 h -1 ). As ceria is easily reducible from CeO 2 to CeO 2-x , the surface of CeO 2 could supply an extremely large amount of Ce 3+ , and the high-density electrons of Ce 3+ can work as Lewis base to facilitate the absorption of N 2 H 4 , which can weaken the N-H bond and promote NiFe active centers to break the N-H bond preferentially, resulting in the high catalytic selectivity (over 99%) and activity for the H 2 generation from N 2 H 4 ·H 2 O.

Investigation of the Na2(H2PO2)2 - Ba(H2PO2)2 - H2O Water-Salt Ternary System at Room Temperature

OpenAIRE

Erge, Hasan; Turan, Hakan; Kul, Ali Riza

2016-01-01

Objective: In this study, the solubility, density, conductivity and phase equilibria of the Na2(H2PO2)2-Ba(H2PO2)2-H2O ternary system located in the structure of the Na+, Ba2+, (H2PO2)-//H2O quaternary reciprocal water-salt system were investigated using physicochemical analysis methods. Material and Methods: Riedel-de Haen and Merck salts were used to investigate the solubility and phase equilibria of the Na2(H2PO2)2 -Ba(H2PO2)2-H2O ternary water–salt system at room temperature Res...

I + (H2O)2 → HI + (H2O)OH Forward and Reverse Reactions. CCSD(T) Studies Including Spin-Orbit Coupling.

Science.gov (United States)

Wang, Hui; Li, Guoliang; Li, Qian-Shu; Xie, Yaoming; Schaefer, Henry F

2016-03-03

The potential energy profile for the atomic iodine plus water dimer reaction I + (H2O)2 → HI + (H2O)OH has been explored using the "Gold Standard" CCSD(T) method with quadruple-ζ correlation-consistent basis sets. The corresponding information for the reverse reaction HI + (H2O)OH → I + (H2O)2 is also derived. Both zero-point vibrational energies (ZPVEs) and spin-orbit (SO) coupling are considered, and these notably alter the classical energetics. On the basis of the CCSD(T)/cc-pVQZ-PP results, including ZPVE and SO coupling, the forward reaction is found to be endothermic by 47.4 kcal/mol, implying a significant exothermicity for the reverse reaction. The entrance complex I···(H2O)2 is bound by 1.8 kcal/mol, and this dissociation energy is significantly affected by SO coupling. The reaction barrier lies 45.1 kcal/mol higher than the reactants. The exit complex HI···(H2O)OH is bound by 3.0 kcal/mol relative to the asymptotic limit. At every level of theory, the reverse reaction HI + (H2O)OH → I + (H2O)2 proceeds without a barrier. Compared with the analogous water monomer reaction I + H2O → HI + OH, the additional water molecule reduces the relative energies of the entrance stationary point, transition state, and exit complex by 3-5 kcal/mol. The I + (H2O)2 reaction is related to the valence isoelectronic bromine and chlorine reactions but is distinctly different from the F + (H2O)2 system.

Synthesis and characterization of polymer eight-coordinate (enH 2)[Y III(pdta)(H 2O)] 2·10H 2O as well as the interaction of [Y III(pdta)(H 2O)] 22- with BSA

Science.gov (United States)

Liu, Bin; Wang, Jun; Wang, Xin; Liu, Bing-Mi; He, Ling-Ling; Xu, Shu-Kun

2010-12-01

The eight-coordinate (enH 2)[Y III(pdta)(H 2O)] 2·10H 2O (en = ethylenediamine and H 4pdta = 1,3-propylenediamine- N, N, N', N'-tetraacetic acid) was synthesized, meanwhile its molecular and crystal structures were determined by single-crystal X-ray diffraction technology. The interaction between [Y III(pdta)(H 2O)] 22- and bovine serum albumin (BSA) was investigated by UV-vis and fluorescence spectra. The results indicate that [Y III(pdta)(H 2O)] 22- quenched effectively the intrinsic fluorescence of BSA via a static quenching process with the binding constant ( Ka) of the order of 10 4. Meanwhile, the binding and damaging sites to BSA molecules were also estimated by synchronous fluorescence. Results indicate that the hydrophobic environments around Trp and Tyr residues were all slightly changed. The thermodynamic parameters (Δ G = -25.20 kJ mol -1, Δ H = -26.57 kJ mol -1 and Δ S = -4.58 J mol -1 K -1) showed that the reaction was spontaneous and exothermic. What is more, both Δ H and Δ S were negative values indicated that hydrogen bond and Van der Waals forces were the predominant intermolecular forces between [Y III(pdta)(H 2O)] 22- and BSA.

Structural, thermal, and magnetic study of solvation processes in spin-crossover [Fe(bpp)(2)][Cr(L)(ox)(2)](2).nH(2)O complexes.

Science.gov (United States)

Clemente-León, Miguel; Coronado, Eugenio; Giménez-López, M Carmen; Romero, Francisco M

2007-12-24

The influence of lattice water in the magnetic properties of spin-crossover [Fe(bpp)2]X2.nH2O salts [bpp = 2,6-bis(pyrazol-3-yl)pyridine] is well-documented. In most cases, it stabilizes the low-spin state compared to the anhydrous compound. In other cases, it is rather the contrary. Unraveling this mystery implies the study of the microscopic changes that accompany the loss of water. This might be difficult from an experimental point of view. Our strategy is to focus on some salts that undergo a nonreversible dehydration-hydration process without loss of crystallinity. By comparison of the structural and magnetic properties of original and rehydrated samples, several rules concerning the role of water at the microscopic level can be deduced. This paper reports on the crystal structure, thermal studies, and magnetic properties of [Fe(bpp)2][Cr(bpy)(ox)2]2.2H2O (1), [Fe(bpp)2][Cr(phen)(ox)2]2.0.5H2O.0.5MeOH (2), and [Fe(bpp)2][Cr(phen)(ox)2]2.5.5H2O.2.5MeOH (3). Salt 1 contains both high-spin (HS) and low-spin (LS) Fe2+ cations in a 1:1 ratio. Dehydration yields the anhydrous spin-crossover compound with T1/2 downward arrow = 353 K and T1/2 upward arrow = 369 K. Rehydration affords the dihydrate [Fe(bpp)2][Cr(bpy)(ox)2]2.2H2O (1r) with 100% HS Fe2+ sites. Salt 2 also contains both HS and LS Fe2+ cations in a 1:1 ratio. Dehydration yields the anhydrous spin-crossover compound with T1/2 downward arrow = 343 K and T1/2 upward arrow = 348 K. Rehydration affords [Fe(bpp)2][Cr(phen)(ox)2]2.0.5H2O (2r) with 72% Fe2+ sites in the LS configuration. The structural, magnetic, and thermal properties of these rehydrated compounds 1r and 2r are also discussed. Finally, 1 has been dehydrated and resolvated with MeOH to give [Fe(bpp)2][Cr(bpy)(ox)2]2.MeOH (1s) with 33% HS Fe2+ sites. The influence of the guest solvent in the Fe2+ spin state can anticipate the future applications of these compounds in solvent sensing.

Quasielastic neutron scattering and infra-red band contour study of H2O reorientations in [Ni(H2O)6] (ClO4)2

International Nuclear Information System (INIS)

Janik, J.A.; Janik, J.M.; Otnes, K.; Stanek, T.

1980-01-01

IR band contour measurements carried out for [Ni(H 2 O) 6 ] (ClO 4 ) 2 revealed an existence of fast H 2 O 180 deg flips around Ni-O axes at room temperatures. These flips were subjected to a more accurate study by the quasielastic neutron scattering method. Correlation times of the order of picosecond were obtained for room temperatures and the barrier to rotation of ca. 7 kcal/mole. The results are compared to those previously obtained for [Mg(H 2 O) 6 ] (ClO 4 ) 2 and also to those for [Ni(NH 3 ) 6 ] (ClO 4 ) 2 and [Mg(NH 3 ) 6 ] (ClO 4 ) 2 . (author)

pH effect on pit potential and protection potential of stainless steels AISI-304, 310 and 316 in NaCl solution

International Nuclear Information System (INIS)

Cabral, U.Q.; Sathler, L.; Mariano Neto, F.

1973-06-01

For three austenitic stainless steels, AISI 304, 310 and 316, the pH influence on the rupture, protection and corrosion potentials was studied in a 0,5N NACl solution. The pit potentials determined by the chronogalvonometric method, are pH independent within the acid range. They showed a rough linear variation within the basic range having a maximum corresponding to the pH value of 8.8. The electrochemical hysteresis method, employed for determining the protection potential, presented a total pH independence for the AISI 316. The other steels showed a small dependence within the basic range but with a tendency for the protection potential to become slightly more active with increasing pH, within the acid range. It was also noted for the three steels studied that the corrosion potental became more active with increasing pH, within the basic range [pt

Monte Carlo analysis of Pu-H2O and UO2-PuO2-H2O critical assemblies with ENDF/B-IV data

International Nuclear Information System (INIS)

Hardy, J. Jr.; Ullo, J.J.

1981-04-01

A set of critical experiments, comprising thirteen homogeneous Pu-H 2 O assemblies and twelve UO 2 -PuO 2 lattices, was analyzed with ENDF/B-IV data and the RCPO1 Monte Carlo program, which modeled the experiments explicitly. Some major data sensitivities were also evaluated. For the Pu-H 2 O assemblies, calculated K/sub eff/ averaged 1.011. The large (2.7%) scatter of K/sub eff/ values for these assemblies was attributed mostly to uncertainties in physical specifications since no clear trends of K/sub eff/ were evident and data sensitivities were insignificant. The UO 2 -PuO 2 lattices showed just one trend of K/sub eff/, which indicated an overprediction of U238 capture consistent with that observed for uranium-H 2 O experiments. There was however a approx. 1% discrepancy in calculated K/sub eff/ between the two sets of UO 2 -PuO 2 lattices studied

VUV photoionization cross sections of HO2, H2O2, and H2CO.

Science.gov (United States)

Dodson, Leah G; Shen, Linhan; Savee, John D; Eddingsaas, Nathan C; Welz, Oliver; Taatjes, Craig A; Osborn, David L; Sander, Stanley P; Okumura, Mitchio

2015-02-26

The absolute vacuum ultraviolet (VUV) photoionization spectra of the hydroperoxyl radical (HO2), hydrogen peroxide (H2O2), and formaldehyde (H2CO) have been measured from their first ionization thresholds to 12.008 eV. HO2, H2O2, and H2CO were generated from the oxidation of methanol initiated by pulsed-laser-photolysis of Cl2 in a low-pressure slow flow reactor. Reactants, intermediates, and products were detected by time-resolved multiplexed synchrotron photoionization mass spectrometry. Absolute concentrations were obtained from the time-dependent photoion signals by modeling the kinetics of the methanol oxidation chemistry. Photoionization cross sections were determined at several photon energies relative to the cross section of methanol, which was in turn determined relative to that of propene. These measurements were used to place relative photoionization spectra of HO2, H2O2, and H2CO on an absolute scale, resulting in absolute photoionization spectra.

X-ray-induced dissociation of H.sub.2O and formation of an O.sub.2-H.sub.2 alloy at high pressure

Science.gov (United States)

Mao, Ho-kwang [Washington, DC; Mao, Wendy L [Washington, DC

2011-11-29

A novel molecular alloy of O.sub.2 and H.sub.2 and a method of producing such a molecular alloy are provided. When subjected to high pressure and extensive x-radiation, H.sub.2O molecules cleaved, forming O--O and H--H bonds. In the method of the present invention, the O and H framework in ice VII was converted into a molecular alloy of O.sub.2 and H.sub.2. X-ray diffraction, x-ray Raman scattering, and optical Raman spectroscopy demonstrate that this crystalline solid differs from previously known phases.

Ground and excited states of the [Fe(H2O)6]2+ and [Fe(H2O)6]3+ clusters: Insight into the electronic structure of the [Fe(H2O)6]2+ – [Fe(H2O)6]3+ complex

Energy Technology Data Exchange (ETDEWEB)

Miliordos, Evangelos; Xantheas, Sotiris S.

2015-04-14

We report the ground and low lying electronically excited states of the [Fe(H2O)6]2+ and [Fe(H2O)6]3+ clusters using multi-configuration electronic structure theory. In particular, we have constructed the Potential Energy Curves (PECs) with respect to the iron-oxygen distance when removing all water ligands at the same time from the cluster minima and established their correlation to the long range dissociation channels. Due to the fact that both the second and third ionization potentials of iron are larger than the one for water, the ground state products asymptotically correlate with dissociation channels that are repulsive in nature at large separations as they contain at least one H2O+ fragment and a positive metal center. The most stable equilibrium structures emanate – via intersections and/or avoided crossings – from the channels consisting of the lowest electronic states of Fe2+(5D; 3d6) or Fe3+(6S; 3d5) and six neutral water molecules. Upon hydration, the ground state of Fe2+(H2O)6 is a triply (5Tg) degenerate one with the doubly (5Eg) degenerate state lying slightly higher in energy. Similarly, Fe3+(H2O)6 has a ground state of 6Ag symmetry under Th symmetry. We furthermore examine a multitude of electronically excited states of many possible spin multiplicities, and report the optimized geometries for several selected states. The PECs for those cases are characterized by a high density of states. Focusing on the ground and the first few excited states of the [Fe(H2O)6]2+ and [Fe(H2O)6]3+ clusters, we studied their mutual interaction in the gas phase. We obtained the optimal geometries of the Fe2+(H2O)6 – Fe3+(H2O)6 gas phase complex for different Fe–Fe distances. For distances shorter than 6.0 Å, the water molecules in the respective first solvation shells located between the two metal centers were found to interact via weak hydrogen bonds. We examined a total of ten electronic states for this complex, including those corresponding to the

Crystal structure of strontium osmate (8) Sr[OsO5(H2O)]x3H2O

International Nuclear Information System (INIS)

Nevskij, N.N; Ivanov-Ehmin, B.N.; Nevskaya, N.A.; Belov, N.V.; AN SSSR, Moscow. Inst. Kristallografii)

1982-01-01

Crystal structure of the Sr[OsO 5 (H 2 O)]x3H 2 O complex is studied. Rhombic P-cell has the parameters: a=6.426(1), b=7.888(1), c=14.377(5) A, Vsub(c)=729 A 3 . The R-factor equals 0.034. The coordinates of the basis atoms and isotropic temperature corrections, as well as basic interatomic distances, are determined

Stability of globular proteins in H2O and D2O

NARCIS (Netherlands)

Efimova, Y. M.; Haemers, S.; Wierczinski, B.; Norde, W.; van Well, A. A.

2007-01-01

In several experimental techniques D2O rather then H2O is often used as a solvent for proteins. Concerning the influence of the solvent on the stability of the proteins, contradicting results have been reported in literature. In this paper the influence of H2O-D2O solvent substitution on the

Surface effects induced by cathodic hydrogenation in type AISI 304 stainless steel

International Nuclear Information System (INIS)

Silva, T.C.V.

1984-08-01

Cathodic hydrogen charging of type AISI 304 stainless steel modified its austenitic structure, giving rise to the formation of two new martensitic phases and the appearance of cracks, in most cases delayed. As electrolyte a 1 N H 2 S O 4 solution containing As 2 O 3 was employed. The cathodic hydrogenation was carries out at room temperature. The transformed phases were identified with black and white and coloured metallographic techniques, as well as by X-ray diffraction. The effect of cathodic hydrogenation in samples uniaxially tensile tested with constant nominal strain rate was investigated. It was concluded that the number of cracks per unit surface area changes with hydrogenation conditions and that hydrogen should be present for the embrittlement to occur. (author)

Crystal structure of strontium aqua(ethylenediaminetetraacetato)cobaltate(II) tetrahydrate Sr[CoEdta(H2O)] · 4H2O

International Nuclear Information System (INIS)

Zasurskaya, L.A.; Polynova, T.N.; Polyakova, I.N.; Sergienko, V.S.; Poznyak, A.L.

2001-01-01

The complex Sr[Co II Edta] · 5H 2 O (I) (where Edta 4- is the ethylenediaminetetraacetate ion) has been synthesized. The crystal structure of this compound is determined by X-ray diffraction. Crystals are monoclinic, a = 7.906(2) A, b = 12.768(2) A, c = 18.254(3) A, β = 95.30(3) deg., V 1834.8 A 3 , space group P2 1 /n, Z = 4, and R = 0.036. The structure is built up of the binuclear complex fragments {Sr(H 2 O) 3 [CoEdta(H 2 O)]}, which consist of the anionic [CoEdta(H 2 O)] 2- and cationic [Sr(H 2 O) 3 ] 2+ units linked by the Sr-O bonds into a three-dimensional framework. The coordination polyhedra of the Co and Sr atoms are mono- and bicapped trigonal prisms. The coordination sphere of the Co atom (the coordination number is equal to 6 + 1) involves six donor atoms (2N and 4O) of the Edta 4- ligand and the O w atom of water molecule. One of the Co-O distances (2.718 A) is considerably longer than the other Co-O lig distances (2.092-2.190 A) and the Co-O w (1) distance (2.079 A). The Sr coordination polyhedron (the coordination number is eight) contains three water molecules, three carbonyl O atoms of the three different anionic complexes, and two O atoms of one acetate group of the fourth anionic complex. The Sr-O distances fall in the range 2.535-2.674 A. The structural formula of the compound is {Sr(H 2 O) 3 [CoEdta(H 2 O)]} 3∞ · H 2 O

Systems Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O at 25 deg C. Sistemy Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O pri 25 grad S

Energy Technology Data Exchange (ETDEWEB)

Skvortsov, V G; Sadetdinov, Sh V; Akimov, V M; Mitrasov, Yu N; Petrova, O V; Klopov, Yu N [Chuvashskij Gosudarstvennyj Pedagogicheskij Inst., Cheboksary (Russian Federation) Universitet Druzhby Narodov, Moscow (Russian Federation)

1994-02-01

Phase equilibriums in the Li[sub 2]B[sub 4]O[sub 7] (Na[sub 2]B[sub 4]O[sub 7], K[sub 2]B[sub 4]O[sub 7])-N[sub 2]H[sub 3]H[sub 4]OH-H[sub 2]O systems were investigated by methods of isothermal solubility, refractometry and PH-metry at 25 deg C for the first time. Lithium and sodium tetraborates was established to form phases of changed composition mM[sub 2]B[sub 4]O[sub 7][center dot]nN[sub 2]H[sub 3]C[sub 2]H[sub 4]OH[center dot]XH[sub 2]O, where M=Li, Na with hydrazine ethanol. K[sub 2]B[sub 4]O[sub 7][center dot]4H[sub 2]O precipitates in solid phase in the case of potassium salt. Formation of isomorphous mixtures was supported by X-ray diffraction and IR spectroscopy methods.

Application of H2O and UV/H2O2 processes for enhancing the biodegradability of reactive black 5 dye.

Science.gov (United States)

Kalpana, S Divya; Kalyanaraman, Chitra; Gandhi, N Nagendra

2011-07-01

Leather processing is a traditional activity in India during which many organic and inorganic chemicals are added while part of it is absorbed by the leather, the remaining chemicals are discharged along with the effluent. The effluent contains both easily biodegradable and not easily biodegradable synthetic organics like dyes, syntans. Easily biodegradable organics are removed in the existing biological treatment units whereas synthetic organics present in the wastewater are mostly adsorbed over the microbes. As the tannery effluent contains complex chemicals, it is difficult to ascertain the degradation of specific pollutants. To determine the increase in the biodegradability, one of the complex and synthetic organic chemical like dye used in the tanning operation was selected for Advanced Oxidation Process (AOPs) treatment for cleaving complex organics and its subsequent treatment in aerobic process. In the present study, Reactive Black 5 Dye used in the tanning operation was selected for Hydrogen Peroxide (H2O2) and UV/H2O2 pre-treatment for different operating conditions like pH, contact time and different volume of H2O2. A comparison was made between the untreated, Hydrogen Peroxide (H2O2) and UV/H2O2 treated effluent in order to ascertain the influence of AOP on the improvement of biodegradability of effluent. An increase in the BOD5/COD ratio from 0.21 to 0.435 was achieved in the UV/H2O2 pre-treatment process. This pre-treated effluent was further subjected to aerobic process. Biochemical Oxygen Demand (BOD5) and Chemical Oxygen Demand (COD) removal efficiency of the UV/H2O2 pre-treated dye solution in the aerobic process was found to be 86.39% and 77.82% when compared to 52.43% of BOD5 and 51.55% of COD removal efficiency without any pre-treatment. Hence from these results, to increase the biodegradability of Reactive Black 5 dye pre-treatment methods like H2O2 and UV/H2O2 can be used prior to biological treatment process.

Removal of diethyl phthalate from water solution by adsorption, photo-oxidation, ozonation and advanced oxidation process (UV/H2O2, O3/H2O2 and O3/activated carbon)

International Nuclear Information System (INIS)

Medellin-Castillo, Nahum A.; Ocampo-Pérez, Raúl; Leyva-Ramos, Roberto; Sanchez-Polo, Manuel; Rivera-Utrilla, José; Méndez-Díaz, José D.

2013-01-01

The objective of this work was to compare the effectiveness of conventional technologies (adsorption on activated carbon, AC, and ozonation) and technologies based on advanced oxidation processes, AOPs, (UV/H 2 O 2 , O 3 /AC, O 3 /H 2 O 2 ) to remove phthalates from aqueous solution (ultrapure water, surface water and wastewater). Diethyl phthalate (DEP) was chosen as a model pollutant because of its high water solubility (1080 mg/L at 293 K) and toxicity. The activated carbons showed a high adsorption capacity to adsorb DEP in aqueous solution (up to 858 mg/g), besides the adsorption mechanism of DEP on activated carbon is governed by dispersive interactions between π electrons of its aromatic ring with π electrons of the carbon graphene planes. The photodegration process showed that the pH solution does not significantly affect the degradation kinetics of DEP and the first-order kinetic model satisfactorily fitted the experimental data. It was observed that the rate of decomposition of DEP with the O 3 /H 2 O 2 and O 3 /AC systems is faster than that with only O 3 . The technologies based on AOPs (UV/H 2 O 2 , O 3 /H 2 O 2 , O 3 /AC) significantly improve the degradation of DEP compared to conventional technologies (O 3 , UV). AC adsorption, UV/H 2 O 2 , O 3 /H 2 O 2 , and O 3 /AC showed a high yield to remove DEP; however, the disadvantage of AC adsorption is its much longer time to reach maximum removal. The best system to treat water (ultrapure and natural) polluted with DEP is the O 3 /AC one since it achieved the highest DEP degradation and TOC removal, as well as the lower water toxicity. -- Highlights: ► Activated carbons showed a high adsorption capacity (up to 858 mg/g) to remove DEP. ► The pH solution did not significantly affect the photodegradation kinetics of DEP. ► The O 3 /H 2 O 2 and O 3 /AC systems were more efficient than O 3 to degrade DEP. ► The generation of HO • from O 3 was enhanced by ACs, mainly by those of basic nature. ► O

Parsec-scale Variations in the {sup 7}Li i/{sup 6}Li i Isotope Ratio Toward IC 348 and the Perseus OB 2 Association

Energy Technology Data Exchange (ETDEWEB)

Knauth, D. C. [Woodlawn High School, 1801 Woodlawn Drive, Baltimore, MD 21207 (United States); Taylor, C. J.; Federman, S. R. [Department of Physics and Astronomy, University of Toledo, Toledo, OH 43606 (United States); Ritchey, A. M. [Department of Astronomy, University of Washington, Seattle, WA, 98195 (United States); Lambert, D. L., E-mail: knauth_dc2@hotmail.com, E-mail: steven.federman@utoledo.edu, E-mail: cjtaylor@astro.umd.edu, E-mail: aritchey@astro.washington.edu, E-mail: dll@astro.as.utexas.edu [Department of Astronomy, University of Texas, Austin, TX 78712 (United States)

2017-01-20

Measurements of the lithium isotopic ratio in the diffuse interstellar medium from high-resolution spectra of the Li i λ 6708 resonance doublet have now been reported for a number of lines of sight. The majority of the results for the {sup 7}Li/{sup 6}Li ratio are similar to the solar system ratio of 12.2, but the line of sight toward o Per, a star near the star-forming region IC 348, gave a ratio of about two, the expected value for gas exposed to spallation and fusion reactions driven by cosmic rays. To examine the association of IC 348 with cosmic rays more closely, we measured the lithium isotopic ratio for lines of sight to three stars within a few parsecs of o Per. One star, HD 281159, has {sup 7}Li/{sup 6}Li ≃ 2 confirming production by cosmic rays. The lithium isotopic ratio toward o Per and HD 281159 together with published analyses of the chemistry of interstellar diatomic molecules suggest that the superbubble surrounding IC 348 is the source of the cosmic rays.

Tribological properties of CrN coatings deposited by nitro-chromizing treatment on AISI D2 steel

Energy Technology Data Exchange (ETDEWEB)

Durmaz, M., E-mail: mdurmaz@sakarya.edu.tr; Abakay, E.; Sen, U.; Sen, S. [Department of Metallurgical and Materials Engineering, Engineering Faculty, Sakarya University, Esentepe Campus, 54187 Sakarya (Turkey); Kilinc, B. [Department of Metallurgical and Materials Engineering, Institute of Arts and Sciences, Sakarya University, Esentepe Campus, 54187 Sakarya (Turkey)

2015-03-30

In this work, the wear test of uncoated and chromium nitride coated AISI D2 cold work tool steel against alumina ball realized at 0.1 m/s sliding speeds and under the loads of 2.5N, 5N and 10N. Steel samples were nitrided at 575°C for 8 h in the first step of the coating process, and then chromium nitride coating was performed thermo-reactive deposition technique (TRD) in a powder mixture consisting of ferro-chromium, ammonium chloride and alumina at 1000°C for 2 h. Nitro-chromized samples were characterized by X-Ray diffraction analysis (XRD), scanning electron microscopy (SEM), micro-hardness and ball on disk wear tests. The coating layer formed on the AISI D2 steel was compact and homogeneous. X-ray studies showed that the phase formed in the coated layer is Cr{sub 2}N. The depth of the layer was 8.15 µm. The average hardness of the layer was 2160±15 HV{sub 0.025}. For uncoated and chromium nitride materials, wear rate increased with increasing load. The results of friction coefficient and wear rate of the tested materials showed that the CrN coating presents the lowest results.

Tribological properties of CrN coatings deposited by nitro-chromizing treatment on AISI D2 steel

International Nuclear Information System (INIS)

Durmaz, M.; Abakay, E.; Sen, U.; Sen, S.; Kilinc, B.

2015-01-01

In this work, the wear test of uncoated and chromium nitride coated AISI D2 cold work tool steel against alumina ball realized at 0.1 m/s sliding speeds and under the loads of 2.5N, 5N and 10N. Steel samples were nitrided at 575°C for 8 h in the first step of the coating process, and then chromium nitride coating was performed thermo-reactive deposition technique (TRD) in a powder mixture consisting of ferro-chromium, ammonium chloride and alumina at 1000°C for 2 h. Nitro-chromized samples were characterized by X-Ray diffraction analysis (XRD), scanning electron microscopy (SEM), micro-hardness and ball on disk wear tests. The coating layer formed on the AISI D2 steel was compact and homogeneous. X-ray studies showed that the phase formed in the coated layer is Cr 2 N. The depth of the layer was 8.15 µm. The average hardness of the layer was 2160±15 HV 0.025 . For uncoated and chromium nitride materials, wear rate increased with increasing load. The results of friction coefficient and wear rate of the tested materials showed that the CrN coating presents the lowest results

Tribological properties of CrN coatings deposited by nitro-chromizing treatment on AISI D2 steel

Science.gov (United States)

Durmaz, M.; Kilinc, B.; Abakay, E.; Sen, U.; Sen, S.

2015-03-01

In this work, the wear test of uncoated and chromium nitride coated AISI D2 cold work tool steel against alumina ball realized at 0.1 m/s sliding speeds and under the loads of 2.5N, 5N and 10N. Steel samples were nitrided at 575°C for 8 h in the first step of the coating process, and then chromium nitride coating was performed thermo-reactive deposition technique (TRD) in a powder mixture consisting of ferro-chromium, ammonium chloride and alumina at 1000°C for 2 h. Nitro-chromized samples were characterized by X-Ray diffraction analysis (XRD), scanning electron microscopy (SEM), micro-hardness and ball on disk wear tests. The coating layer formed on the AISI D2 steel was compact and homogeneous. X-ray studies showed that the phase formed in the coated layer is Cr2N. The depth of the layer was 8.15 µm. The average hardness of the layer was 2160±15 HV0.025. For uncoated and chromium nitride materials, wear rate increased with increasing load. The results of friction coefficient and wear rate of the tested materials showed that the CrN coating presents the lowest results.

Synthesis, structural characterization, and dehydration analysis of uranyl zinc mellitate, (UO{sub 2})Zn(H{sub 2}O){sub 4}(H{sub 2}mel).2H{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Olchowka, Jakub; Volkringer, Christophe; Henry, Natacha; Loiseau, Thierry [Unite de Catalyse et Chimie du Solide (UCCS) - UMR CNRS 8181, Universite de Lille Nord de France, USTL-ENSCL, Villeneuve d' Ascq (France)

2013-04-15

A new heterometallic uranyl zinc carboxylate, (UO{sub 2})Zn(H{sub 2}O){sub 4}(H{sub 2}mel).2H{sub 2}O, has been hydrothermally prepared (150 C, 24 h) by using 1,2,3,4,5,6-benzenehexacarboxylic acid (mellitic acid) as organic linker in order to form a three-dimensional network. Four of the six carboxylate groups of the mellitate ligand interact with mononuclear uranyl or zinc cations, which are eightfold (hexagonal bipyramid, UO{sub 8}) or sixfold [octahedron, ZnO{sub 2}(H{sub 2}O){sub 4}] coordinated, respectively. The remaining free carboxylate arms of the mellitate species preferentially interact through hydrogen bonds with water molecules trapped within the framework. Thermogravimetric and X-ray thermodiffraction (up to 800 C) analyses and in situ infrared spectroscopy (up to 210 C) indicated that both free and bound water species are evacuated from the structure in one step between 80 and 170 C, followed by its transformation into an unknown, anhydrous, poorly crystalline phase [UO{sub 2}Zn(mel)] up to 320 C. After the formation of an amorphous phase, the re-crystallization of oxides α-ZnU{sub 3}O{sub 10} and ZnO was observed from 460 C. The fluorescence spectrum of the as-synthesized uranyl zinc mellitate shows the six bands that are typical for vibronic couplings of the [O=U=O]{sup 2+} moiety. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Application of UV/TiO2/H2O2 Advanced Oxidation to Remove Naphthalene from Water

Directory of Open Access Journals (Sweden)

Behroz Karimi

2016-11-01

Full Text Available Naphthalene is released into the environment by burning such organic materials as fossil fuels and wood and in industrial and vehicle exhaust emissions. Naphthalene is used in the manufacture of plastics, resins, fuels, and dyes. The aim of this study was to evaluate the performance of UV/TiO2/H2O2 process to decompose naphthalene in aqueous solutions. For this purpose, the photocatalytic degradation of naphthalene was investigated under UV light irradiation in the presence of TiO2 and H2O2 under a variety of conditions. Photodegradation efficiencies of H2O2/UV, TiO2/UV, and H2O2/TiO2/UV processes were compared in a batch reactor using the low pressure mercury lamp irradiation. The effects of operating parameters such as reaction time (min; solution pH; and initial naphthalene, TiO2, and H2O2 concentrations on photodegradation were examined. In the UV/TiO2/H2O2 system with a naphthalene concentration of 15 mg/L, naphthalene removal efficiencies of 63, 75, 80, 88, 92, 95, 96.5, and 98% were achieved, respectively, for reaction times of 5, 10, 20, 30, 40, 50, 60, 100 and 120 min. This is while removal efficienciesof 50, 59.5, 69, 80, 85, 88, 91, and 95% were obtained in the UV/TiO2 system under the same conditions. For initial pH values of 3, 4, 5, 6, 7,9, 10, and 12, naphthalene removal efficiencies of approximately 96.8, 85.5, 86, 75.5, 68.8, 57.8, and 52.5% were acheived, respectively, with the UV/TiO2/H2O2 system. Thus, it may be claiomed that, compared to either H2O2/UV or TiO2/UV process, the H2O2/TiO2/UV process yielded a far more efficient photodegradation.

Profiling of cytosolic and mitochondrial H2O2 production using the H2O2-sensitive protein HyPer in LPS-induced microglia cells.

Science.gov (United States)

Park, Junghyung; Lee, Seunghoon; Lee, Hyun-Shik; Lee, Sang-Rae; Lee, Dong-Seok

2017-07-27

Dysregulation of the production of pro-inflammatory mediators in microglia exacerbates the pathologic process of neurodegenerative disease. ROS actively affect microglia activation by regulating transcription factors that control the expression of pro-inflammatory genes. However, accurate information regarding the function of ROS in different subcellular organelles has not yet been established. Here, we analyzed the pattern of cytosolic and mitochondrial H 2 O 2 formation in LPS-activated BV-2 microglia using the H 2 O 2- sensitive protein HyPer targeted to specific subcellular compartments. Our results show that from an early time, cytosolic H 2 O 2 started increasing constantly, whereas mitochondrial H 2 O 2 rapidly increased later. In addition, we found that MAPK affected cytosolic H 2 O 2 , but not mitochondrial H 2 O 2 . Consequently, our study provides the basic information about subcellular H 2 O 2 generation in activated microglia, and a useful tool for investigating molecular targets that can modulate neuroinflammatory responses. Copyright © 2017 Elsevier B.V. All rights reserved.

Direct Synthesis of H2O2 over Ti-Containing Molecular Sieves Supported Gold Catalysts: A Comparative Study for In-situ-H2O2-ODS of Fuel

International Nuclear Information System (INIS)

Zhang, Han; Song, Haiyan; Chen, Chunxia; Han, Fuqin; Hu, Shaozheng; Liu, Guangliang; Chen, Ping; Zhao, Zhixi

2013-01-01

Direct synthesis of H 2 O 2 and in situ oxidative desulfurization of model fuel over Au/Ti-HMS and Au/TS-1 catalysts has been comparatively investigated in water or methanol. Maximum amount (82%) of active Au 0 species for H 2 O 2 synthesis was obtained. Au/Ti-HMS and Au/TS-1 exhibited the contrary performances in H 2 O 2 synthesis as CH 3 OH/H 2 O ratio of solvent changed. H 2 O 2 decomposition and hydrogenation in water was inhibited by the introduction of methanol. Effect of O 2 /H 2 ratio on H 2 O 2 concentration, H 2 conversion and H 2 O 2 selectivity revealed a relationship between H 2 O 2 generation and H2 consumption. The highest dibenzothiophene removal rate (83.2%) was obtained over Au/Ti-HMS in methanol at 1.5 of O 2 /H 2 ratio and 60 .deg. C. But removal of thiophene over Au/TS-1 should be performed in water without heating to obtain a high removal rate (61.3%). Meanwhile, H 2 conversion and oxidative desulfurization selectivity of H 2 were presented

The topotactic dehydration of monoclinic {[Co(pht)(bpy)(H2O)2]·2H2O}n into orthorhombic [Co(pht)(bpy)(H2O)2]n (pht is phthalate and bpy is 4,4'-bipyridine).

Science.gov (United States)

Harvey, Miguel Angel; Suarez, Sebastián; Cukiernik, Fabio D; Baggio, Ricardo

2014-10-01

Controlled heating of single crystals of the previously reported [Köferstein & Robl (2007). Z. Anorg. Allg. Chem. 633, 1127-1130] dihydrate {[Co(pht)(bpy)(H2O)2]·2H2O}n, (II) [where pht is phthalate (C8H4O4) and bpy is 4,4'-bipyridine (C10H8N2)], produced a topotactic transformation into an unreported diaqua anhydrate, namely poly[diaqua(μ2-benzene-1,2-dicarboxylato-κ(2)O(1):O(2))(μ2-4,4'-bipyridine-κ(2)N:N')cobalt(II)], [Co(C8H4O4)(C10H8N2)(H2O)2]n, (IIa). The structural change consists of the loss of the two solvent water molecules linking the original two-dimensional covalent substructures which are the `main frame' of the monoclinic P2/n hydrate (strictly preserved during the transformation), with further reaccommodation of the latter. The anhydrate organizes itself in the orthorhombic system (space group Pmn2(1)) in a disordered fashion, where the space-group-symmetry restrictions are achieved only in a statistical sense, with mirror-related two-dimensional planar substructures, mirrored in a plane perpendicular to [100]. Thus, the asymmetric unit in the refined model is composed of two superimposed mirror-related `ghosts' of half-occupancy each. Similarities and differences with the parent dihydrate and some other related structures in the literature are discussed.

High-resolution photoelectron spectroscopy of TiO3H2-: Probing the TiO2- + H2O dissociative adduct

Science.gov (United States)

DeVine, Jessalyn A.; Abou Taka, Ali; Babin, Mark C.; Weichman, Marissa L.; Hratchian, Hrant P.; Neumark, Daniel M.

2018-06-01

Slow electron velocity-map imaging spectroscopy of cryogenically cooled TiO3H2- anions is used to probe the simplest titania/water reaction, TiO20/- + H2O. The resultant spectra show vibrationally resolved structure assigned to detachment from the cis-dihydroxide TiO(OH)2- geometry based on density functional theory calculations, demonstrating that for the reaction of the anionic TiO2- monomer with a single water molecule, the dissociative adduct (where the water is split) is energetically preferred over a molecularly adsorbed geometry. This work represents a significant improvement in resolution over previous measurements, yielding an electron affinity of 1.2529(4) eV as well as several vibrational frequencies for neutral TiO(OH)2. The energy resolution of the current results combined with photoelectron angular distributions reveals Herzberg-Teller coupling-induced transitions to Franck-Condon forbidden vibrational levels of the neutral ground state. A comparison to the previously measured spectrum of bare TiO2- indicates that reaction with water stabilizes neutral TiO2 more than the anion, providing insight into the fundamental chemical interactions between titania and water.

The vibration-rotation-tunneling levels of N2-H2O and N2-D2O

Science.gov (United States)

Wang, Xiao-Gang; Carrington, Tucker

2015-07-01

In this paper, we report vibration-rotation-tunneling levels of the van der Waals clusters N2-H2O and N2-D2O computed from an ab initio potential energy surface. The only dynamical approximation is that the monomers are rigid. We use a symmetry adapted Lanczos algorithm and an uncoupled product basis set. The pattern of the cluster's levels is complicated by splittings caused by H-H exchange tunneling (larger splitting) and N-N exchange tunneling (smaller splitting). An interesting result that emerges from our calculation is that whereas in N2-H2O, the symmetric H-H tunnelling state is below the anti-symmetric H-H tunnelling state for both K = 0 and K = 1, the order is reversed in N2-D2O for K = 1. The only experimental splitting measurements are the D-D exchange tunneling splittings reported by Zhu et al. [J. Chem. Phys. 139, 214309 (2013)] for N2-D2O in the v2 = 1 region of D2O. Due to the inverted order of the split levels, they measure the sum of the K = 0 and K = 1 tunneling splittings, which is in excellent agreement with our calculated result. Other splittings we predict, in particular those of N2-H2O, may guide future experiments.

Hydrazinium lanthanide oxalates: synthesis, structure and thermal reactivity of N_2H_5[Ln_2(C_2O_4)_4(N_2H_5)].4H_2O, Ln = Ce, Nd

International Nuclear Information System (INIS)

De Almeida, Lucie; Grandjean, Stephane; Abraham, Francis; Rivenet, Murielle; Patisson, Fabrice

2014-01-01

New hydrazinium lanthanide oxalates N_2H_5[Ln_2(C_2O_4)_4(N_2H_5)].4H_2O, Ln = Ce (Ce-H_yO_x) and Nd (Nd- H_yO_x), were synthesized by hydrothermal reaction at 150 C between lanthanide nitrate, oxalic acid and hydrazine solutions. The structure of the Nd compound was determined from single-crystal X-ray diffraction data, space group P2_1/c with a = 16.315(4), b = 12.127(3), c = 11.430(2) Angstroms, β = 116.638(4) degrees, V = 2021.4(7) Angstroems"3, Z = 4, and R1 = 0.0313 for 4231 independent reflections. Two distinct neodymium polyhedra are formed, NdO_9 and NdO_8N, an oxygen of one monodentate oxalate in the former being replaced by a nitrogen atom of a coordinated hydrazinium ion in the latter. The infrared absorption band at 1005 cm"-"1 confirms the coordination of N_2H_5"+ to the metal. These polyhedra are connected through μ"2 and μ"3 oxalate ions to form an anionic three-dimensional neodymium-oxalate arrangement. A non-coordinated charge-compensating hydrazinium ion occupies, with water molecules, the resulting tunnels. The N-N stretching frequencies of the infrared spectra demonstrate the existence of the two types of hydrazine ions. Thermal reactivity of these hydrazinium oxalates and of the mixed isotypic Ce/Nd (CeNd-H_yO_x) oxalate were studied by using thermogravimetric and differential thermal analyses coupled with gas analyzers, and high temperature X-ray diffraction. Under air, fine particles of CeO_2 and Ce_0_._5Nd_0_._5O_1_._7_5 are formed at low temperature from Ce-H_yO_x and CeNd-H_yO_x, respectively, thanks to a decomposition/oxidation process. Under argon flow, dioxy-mono-cyanamides Ln_2O_2CN_2 are formed. (authors)

Complexation in the system K2SeO4-UO2SeO4-H2O

International Nuclear Information System (INIS)

Serezhkina, L.B.; Kuchumova, N.V.; Serezhkin, V.N.

1994-01-01

Complexation in the system K 2 SeO 4 -UO 2 SeO 4 -H 2 O at 25 degrees C is studied by isothermal solubility. Congruently soluble K 2 UO 2 (SeO 4 ) 2 ·4H 2 O (I) and incongruently soluble K 2 (UO 2 ) 2 (SeO 4 ) 3 ·6H 2 O (II) are observed. The unit-cell constants of I and II are determined from an X-ray diffraction investigation. For I, a = 12,969, b = 11.588, c = 8.533 angstrom, Z = 4, space group Pmmb. For II, a = 23.36, b = 6.784, c = 13.699 angstrom, β = 104.42 degrees, Z = 4, space group P2/m, P2, or Pm. Complexes I and II are representatives of the crystal-chemical groups AB 2 2 M 1 and A 2 T 3 3 M 1 , respectively, of uranyl complexes

D/H fractionation in the H2-H2O system at supercritical water conditions: Compositional and hydrogen bonding effects

Science.gov (United States)

Foustoukos, Dionysis I.; Mysen, Bjorn O.

2012-06-01

A series of experiments has been conducted in the H2-D2-D2O-H2O-Ti-TiO2 system at temperatures ranging from 300 to 800 °C and pressures between ∼0.3 and 1.3 GPa in a hydrothermal diamond anvil cell, utilizing Raman spectroscopy as a quantitative tool to explore the relative distribution of hydrogen and deuterium isotopologues of the H2 and H2O in supercritical fluids. In detail, H2O-D2O solutions (1:1) were reacted with Ti metal (3-9 h) in the diamond cell, leading to formation of H2, D2, HD, and HDO species through Ti oxidation and H-D isotope exchange reactions. Experimental results obtained in situ and at ambient conditions on quenched samples indicate significant differences from the theoretical estimates of the equilibrium thermodynamic properties of the H-D exchange reactions. In fact, the estimated enthalpy for the H2(aq)-D2(aq) disproportionation reaction (ΔHrxn) is about -3.4 kcal/mol, which differs greatly from the +0.16 kcal/mol predicted for the exchange reaction in the gas phase by statistical mechanics models. The exothermic behavior of the exchange reaction implies enhanced stability of H2 and D2 relative to HD. Accordingly, the significant energy difference of the internal H2(aq)-D2(aq)-HD(aq) equilibrium translates to strong differences of the fractionation effects between the H2O-H2 and D2O-D2 isotope exchange relationships. The D/H fractionation factors between H2O-H2(aq) and D2O-D2(aq) differ by 365‰ in the 600-800 °C temperature range, and are indicative of the greater effect of D2O contribution to the δD isotopic composition of supercritical fluids. The negative ΔHrxn values for the H2(aq)-D2(aq)-HD(aq) equilibrium and the apparent decrease of the equilibrium constant with increasing temperature might be because of differences of the Henry’s law constant between the H- and D-bearing species dissolved in supercritical aqueous solutions. Such effects may be attributed to the stronger hydrogen bonding in the O-H⋯O relative to the

Improved radiosensitive microcapsules using H2O2

International Nuclear Information System (INIS)

Harada, Satoshi; Ehara, Shigeru; Ishii, Keizo

2010-01-01

The radiation-induced releasing of the liquid-core of the microcapsules was improved using H 2 O 2 , which produced O 2 generation of H 2 O 2 after irradiation. Further, we tested whether these microcapsules enhanced the antitumor effects and decreased the adverse effects in vivo in C3He/J mice. The capsules were produced by spraying a mixture of 3.0% hyaluronic acid, 2.0% alginate, 3.0% H 2 O 2 , and 0.3 mmol of carboplatin on a mixture of 0.3 mol FeCl 2 and 0.15 mol CaCl 2 . The microcapsules were subcutaneously injected into MM46 tumors that had been inoculated in the left hind legs of C3He/J mice. The radiotherapy comprised tumor irradiation with 10 Gy or 20 Gy 60 Co. The antitumor effect of the microcapsules was tested by measuring tumor size and monitoring tumor growth. Three types of adverse effects were considered: fuzzy hair, loss of body weight, and death. The size of the capsule size was 23±2.4 μmφ and that of the liquid core, 20.2±2.2 μmφ. The injected microcapsules localized drugs around the tumor. The production of O 2 by radiation increased the release of carboplatin from the microcapsules. The antitumor effects of radiation, carboplatin, and released oxygen were synergistic. Localization of the carboplatin decreased its adverse effects. However, the H 2 O 2 caused ulceration of the skin in the treated area. The use of our microcapsules enhanced the antitumor effects and decreased the adverse effects of carboplatin. However, the skin-ulceration caused by H 2 O 2 must be considered before these microcapsules can be used clinically. (author)

A Cadmium Anionic 1-D Coordination Polymer {[Cd(H2O6][Cd2(atr2(μ2-btc2(H2O4] 2H2O}n within a 3-D Supramolecular Charge-Assisted Hydrogen-Bonded and π-Stacking Network

Directory of Open Access Journals (Sweden)

Anas Tahli

2016-03-01

Full Text Available The hydrothermal reaction of 4,4′-bis(1,2,4-triazol-4-yl (btr and benzene-1,3,5-tricarboxylic acid (H3btc with Cd(OAc2·2H2O at 125 °C in situ forms 4-amino-1,2,4-triazole (atr from btr, which crystallizes to a mixed-ligand, poly-anionic chain of [Cd2(atr2(µ2-btc2(H2O4]2–. Together with a hexaaquacadmium(II cation and water molecules the anionic coordination-polymeric forms a 3-D supramolecular network of hexaaquacadmium(II-catena-[bis(4-amino-1,2,4-triazoletetraaquabis(benzene-1,3,5-tricarboxylatodicadmate(II] dihydrate, 1-D-{[Cd(H2O6][Cd2(atr2(µ2-btc2(H2O4] 2H2O}n which is based on hydrogen bonds (in part charge-assisted and π–π interactions.

Crystal structure of RbCe(SeO4)2 · 5H2O

International Nuclear Information System (INIS)

Ovanesyan, S.M.; Iskhakova, L.D.; Trunov, V.K.

1987-01-01

RbTR(SeO 4 ) 2 x5H 2 O TR=La-Pr are synthesized. Crystal structure of RbCe(SeO 4 ) 2 x5H 2 O is studied. Monoclinic unit parameters are: a=7,200(2), b=8,723(1), c=19,258(6) A, Β=90,88(2), ρ (calc) =3,304 sp.gr. P2 1 /c. Within the structure the Ce nine vertex cages are united by Se(1)- and Se(2)-tetrahedrons in (Ce(SeO 4 ) 2 (H 2 O) 5 ) 2 ∞ n- layers. Some crystal structure regularities of the laminated MTR(EO 4 ) 2 xnH 2 O (M=NH 4 ,K,Rb,Cs; TR=La-Ln, E=S,Se) are considered

Decolorization and Mineralization of Reactive Dyes, by the H2O2/UV Process With Electrochemically Produced H2O2

NARCIS (Netherlands)

Jeric, T.; Bisselink, R.J.M.; Tongeren, W. van; Marechal. A.M. Le

2013-01-01

Decolorization of Reactive Red 238, Reactive Orange 16, Reactive Black 5 and Reactive Blue 4 was studied in the UV/H2O2 process with H2O2 being produced electrochemically. The experimental results show that decolorization increased considerably when switching on the electrochemical production of

Oxidation behaviour at 1123 K of AISI 304-Ni/Al-Al2O3/TiO2 multilayer system deposited by flame spray

Directory of Open Access Journals (Sweden)

Cervera, I.

2011-04-01

Full Text Available The oxidation behaviour of alumina/titania (97/3, 87/13 and 60/40 ceramic coatings using a Ni-Al coupling layer was studied in a thermobalance. Both layers were deposited on an AISI 304 stainless steel base metal by the flame spray technique. The coated steel was heated from room temperature to 1,123 K at 40 K min –1, oxidized in air for 50 h, and then cooled to room temperature at 40 K min–1. The mass gain was mainly attributed to the oxidation of Ni-Al coupling layer. Kinetic laws, DW·S –1 (mg.mm–2 vs. time (hours were close to a parabolic plot for each sample. Surface composition of ceramic top layer and the cross section of multilayer system were analysed using a wide range of experimental techniques including Scanning Electron Microscopy (SEM, equipped with a link energy dispersive X-Ray spectroscopy (EDX and X-Ray diffraction (XRD before and after the oxidation process. Coatings 97/3 and 87/13 presented a stable structure after flame spray deposition and they did not evolve with the oxidation process, while most of the 60/40 coating changed to a metastable structure after deposition and to a more stable structure after oxidation with high micro-cracks content. SEM and EDX microanalysis of the cross-sections showed that significant oxidation and a weak intergranular precipitation had been produced in the coupling layer and on the stainless steel base metal, respectively.El comportamiento a oxidación de recubrimientos cerámicos alúmina/titania (97/3, 87/13, 60/40 usando una capa de anclaje Ni-Al se ha estudiado mediante una termobalanza. Ambas capas se han depositado sobre un acero inoxidable AISI 304 utilizando la técnica de proyección llama (FS. El acero recubierto se ha calentado desde la temperatura ambiente hasta 1.123 K a 40 K min–1, se ha oxidado al aire durante 50 h, y luego se ha enfriado hasta la temperatura ambiente a 40 K min–1. La ganancia en masa se atribuye a la oxidación de la capa de enganche Ni-Al. La cin

A novel H2S/H2O2 fuel cell operating at the room temperature

Energy Technology Data Exchange (ETDEWEB)

Sanli, Ayse Elif [Gazi University (Turkey)], email: aecsanli@gmail.com; Aytac, Aylin [Department of Chemistry, Faculty of Science, Gazi University, Teknikokullar (Turkey)], email: aytaca@gazi.edu.tr

2011-07-01

This study concerns the oxidation mechanism of hydrogen sulfide and a fuel cell; acidic peroxide is used as the oxidant and basic hydrogen sulfide is the fuel. A solid state H2S/H2O2 stable fuel cell was produced at room temperature. A cell potential of 0.85 V was reached; this is quite remarkable in comparison to the H2S/O2 fuel cell potential of 0.85 V obtained at 850-1000 degree celsius. The hydrogen sulfide goes through an oxidation reaction in the alkaline fuel cell (H2S/H2O2 fuel cell) which opens up the possibility of using the cheaper nickel as a catalyst. As a result, the fuel cell becomes a potentially low cost technology. A further benefit from using H2S as the alkaline liquid H2S/H2O2 fuel cell, is that sulfide ions are oxidized at the anode, releasing electrons. Sulfur produced reacts with the other sulfide ions and forms disulfide and polysulfide ions in basic electrolytes (such as Black Sea water).

Electrochemical, H2O2-Boosted Catalytic Oxidation System

Science.gov (United States)

Akse, James R.; Thompson, John O.; Schussel, Leonard J.

2004-01-01

An improved water-sterilizing aqueous-phase catalytic oxidation system (APCOS) is based partly on the electrochemical generation of hydrogen peroxide (H2O2). This H2O2-boosted system offers significant improvements over prior dissolved-oxygen water-sterilizing systems in the way in which it increases oxidation capabilities, supplies H2O2 when needed, reduces the total organic carbon (TOC) content of treated water to a low level, consumes less energy than prior systems do, reduces the risk of contamination, and costs less to operate. This system was developed as a variant of part of an improved waste-management subsystem of the life-support system of a spacecraft. Going beyond its original intended purpose, it offers the advantage of being able to produce H2O2 on demand for surface sterilization and/or decontamination: this is a major advantage inasmuch as the benign byproducts of this H2O2 system, unlike those of systems that utilize other chemical sterilants, place no additional burden of containment control on other spacecraft air- or water-reclamation systems.

Studies on the direct synthesis of [O-15]-H2O

International Nuclear Information System (INIS)

Hagami, Eiichi; Murakami, Matsutaro; Takahashi, Kazuhiro; Kanno, Iwao; Aizawa, Yasuo; Hachiya, Takenori; Shoji, Yasuaki; Shishido, Fumio; Uemura, Kazuo

1986-01-01

A direct [O-15]-H 2 O synthesis method and its critical point of non-radioactive NH 4 + contamination were described. The 6.4 MeV deuterons were irradiated into the target chamber of 177 ml, filled up with 3.5 kg/cm 2 of 0.1 % H 2 in N 2 . [O-15]-H 2 O vapor was transported to PET room by He flow of 2.5 l/min through the teflon tubing of 2 mm in internal diameter and of 30 m in length. [O-15]-H 2 O was trapped in the vial containing 10 ml of saline and passed through Millipore filter. In this condition, the small amount of non-radioactive NH 4 + (24.9 ± 12.8 (1 SD) μg/dl, n = 23) was detected. This NH 4 + concentration varied from 25 to 11,000 μg/dl with changing H 2 amount in the target from 0.1 to 4.0 %. The NH 4 + concentration was kept lower than a normal range of the healthy human blood with 0.5 % or less H 2 in N 2 in the target. Therefore, 0.1 % of H 2 was used in clinical use. By the present method, a yield of approximately 7 mCi/μA of [O-15]-H 2 O saline was obtained. About 10 % of radioactive gases, corresponding to C 15 O, C 15 O 2 and N 2 15 O, were detected in the waste gas. The radiochemical and radionuclidic impurity was not detected in the saline. The biological tests for bacteria and pyrogen were all passed. In conclusion, the direct synthesis method provides [O-15]-H 2 O saline in the PET room with the simple handling and is convenient for the clinical use. (author)

Catalase activity is stimulated by H2O2 in rich culture medium and is required for H2O2 resistance and adaptation in yeast ☆

OpenAIRE

Martins, Dorival; English, Ann M.

2014-01-01

Catalases are efficient scavengers of H2O2 and protect cells against H2O2 stress. Examination of the H2O2 stimulon in Saccharomyces cerevisiae revealed that the cytosolic catalase T (Ctt1) protein level increases 15-fold on H2O2 challenge in synthetic complete media although previous work revealed that deletion of the CCT1 or CTA1 genes (encoding peroxisomal/mitochondrial catalase A) does not increase the H2O2 sensitivity of yeast challenged in phosphate buffer (pH 7.4). This we attributed to...

Cosmetic wastewater treatment by the ZVI/H2O2 process.

Science.gov (United States)

Bogacki, Jan; Marcinowski, Piotr; Zapałowska, Ewa; Maksymiec, Justyna; Naumczyk, Jeremi

2017-10-01

The ZVI/H 2 O 2 process was applied for cosmetic wastewater treatment. Two commercial zero-valent iron (ZVI) types with different granulations were chosen: Hepure Ferrox PRB and Hepure Ferrox Target. In addition, the pH and stirring method influence on ZVI/H 2 O 2 process efficiency was studied. During the ZVI and ZVI/H 2 O 2 processes, linear Fe ions concentration increase was observed. The addition of H 2 O 2 significantly accelerated the iron dissolution process. The highest COD removal was obtained using finer ZVI (Hepure Ferrox Target) for doses of reagents ZVI/H 2 O 2 1500/1600 mg/L, in a H 2 O 2 /COD weight ratio 2:1, at pH 3.0 with stirring on a magnetic stirrer. After 120 min of the process, 84.0% COD removal (from 796 to 127 mg/L) was achieved. It was found that the efficiency of the process depends, as in the case of the Fenton process, on the ratio of the reagents (ZVI/H 2 O 2 ) and their dose in relation to the COD (H 2 O 2 /COD) but does not depend on the dose of the iron itself. Statistical analysis confirms that COD removal efficiency depends primarily on H 2 O 2 /COD ratio and ZVI granulation, but ZVI dose influence is not statistically significant. The head space, solid-phase microextraction, gas chromatography, mass spectrometry results confirm high efficiency of the ZVI/H 2 O 2 process.

Synthesis and crystal structure of trans-[Ni(pyzdcH)M 2 (H 2 O) 2 ...

African Journals Online (AJOL)

The determined structure of the title compound C24H20Ni2N8O20 consists of the mononuclear trans-[Ni(pyzdc)2(H2O)2], (pyzdc = pyrazine-2,3- dicarboxylate). The Ni(II) atom is hexa-coordinated by two (pyzdcH)- groups and two water molecules. The coordinated water molecules are in trans-diaxial positions and the ...

Atomic-Scale View on the H₂O Formation Reaction from H₂ on O-Rich RuO₂(110)

DEFF Research Database (Denmark)

Wei, Yinying; Martinez, Umberto; Lammich, Lutz

2014-01-01

The H2O formation reaction from H-2 on O-rich RuO2(110) was studied by temperature-programmed desorption and reaction (TPD/TPR) and scanning tunneling microscopy (STM) measurements and density functional theory (DFT) calculations. On the one hand, following H-2 adsorption at 270 K, our TPD/TPR me...

Neutron Spectra in H{sub 2}O, D{sub 2}O, BeO and CH{sub 2}; Spectres de Neutrons dans H{sub 2}O, D{sub 2}O, BeO et CH{sub 2}; Spektry nejtronov v H{sub 2}O, D{sub 2}O, BeO i CH{sub 2}; Espectros Neutronicos en H{sub 2}O, D{sub 2}O, BeO y CH{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Neill, J. M.; Young, J. C.; Trimble, G. D.; Beyster, J. R. [General Atomic Division of General Dynamics Corporation, John Jay Hopkins Laboratory for Pure and Applied Science, San Diego, CA (United States)

1965-08-15

Thermal neutron spectral measurements in moderators of interest to reactor technology are being made at General Atomic. The purpose of these measurements is to provide an integral check of the adequacy of proposed scattering models for these moderators. At present the scattering kernels are obtained by measuring the double differential scattering cross-sections directly, or by inferring them from a study of the vibrational and rotational motions of the molecules in a liquid or the lattice vibrational spectrum in a solid. The direct measurement has suffered from some experimental difficulties, such as obtaining the desired intensity and resolution and making the proper corrections for multiple scattering in the sample. From the standpoint of the application to reactor technology, the latter procedure for obtaining the scattering kernel has been more satisfactory in many instances. The integral measurements that have been made, coupled to comparative calculations of the neutron spectra, allow comment to be made on the status of the theoretical scattering models for H{sub 2}O, D{sub 2}O and BeO. In this paper, angular- and position-dependent spectra measured in H{sub 2}O and D{sub 2}O poisoned with boron or cadmium are presented and show improved agreement with the theoretical values. It appears that the Nelkin model for H{sub 2}O provides a reasonable first description for the scattering by that moderator. It also appears that the Honeck model for D{sub 2}O, an extension of the incoherent model for H{sub 2}O of Nelkin, is also an adequate description for some applications. This is surprising since deuterium, unlike hydrogen, is mostly a coherent scatterer; however it supports recent studies by Koppel which showed that the intramolecular and intermolecular interference scattering terms in D{sub 2}O tend to cancel. Measured angularly-dependent neutron spectra in BeO poisoned with borated stainless steel are also presented. In general the agreement of measurement with

Synthesis, crystal structure and magnetic properties of [Cu(mal(abpt(H2O].3/2H2O and [Cu2(sq(abpt 2].2H2O (mal = malonate, sq = squarate, abpt = 4-amino-3,5-di-2-pyridyl-4H-1,2,4 triazole

Directory of Open Access Journals (Sweden)

Eno A. Ededet

2011-04-01

Full Text Available Two new mixed-ligand complexes of formula [Cu(mal(abpt(H2O].3/2H2O (1 and [Cu2(sq(abpt2].2H2O (2 [mal = malonate, abpt = 4-amino-3,5-di-2-pyridyl-4H-1,2,4 triazole and sq = squarate], have been prepared and characterized by X-ray crystal structure determination and magnetic studies. Complex 1 crystallizes in the monoclinic system, space group C2/c, with a = 14.0086(2 Å, b = 10.0980(2 Å, c = 25.630(4 Å; β = 97.5900(10 o, and Z = 8. Complex 2 crystallizes in the triclinic system, space group P-1 with a = 7.5696(15 Å, b = 8.4697(17 Å, c = 11.049(2 Å; β = 93.00(3o, α = 96.98(3, γ = 90.111(3 and Z = 1. Complex 1 consist of a neutral mononuclear [Cu(mal(abpt(H2O] unit and water molecule of crystallization in a distorted square pyramidal coordination sphere, while complex 2 is viewed as being made up of [Cu(sq(abpt2] units with the squarato ligand bridging the two copper(II cations. Variable temperature magnetic behaviour of the complexes reveals the existence of weak antiferromagnetic interaction for complex 1 and weak ferromagnetic intrachain interaction for complex 2.

Trapping {BW12}2 tungstoborate: synthesis and crystal structure of hybrid [{(H2BW12O42)2O}{Mo6O6S6(OH)4(H2O)2}]14- anion.

Science.gov (United States)

Korenev, V S; Abramov, P A; Vicent, C; Mainichev, D A; Floquet, S; Cadot, E; Sokolov, M N; Fedin, V P

2012-12-28

Reaction between monolacunary {BW(11)} tungstoborate and oxothiocationic building block, {Mo(2)O(2)S(2)}, results in the formation of a new polyoxothiometalate with a unique architecture in which two [H(2)BW(12)O(43)](9-) tungstoborate subunits are linked together with a hexamolybdate [Mo(V)(6)O(6)S(6)(OH)(4)(H(2)O)(2)](2+) bridge.

Stability of globular proteins in H2O and in D2O

NARCIS (Netherlands)

Efimova, Y.M.; Haemers, S.; Wierczinsky, B.; Norde, W.; Well, van A.A.

2007-01-01

In several experimental techniques D2O rather then H2O is often used as a solvent for proteins. Concerning the influence of the solvent on the stability of the proteins, contradicting results have been reported in literature. In this paper the influence of H2O-D2O solvent substitution on the

Preparation of MnO2 electrodes coated by Sb-doped SnO2 and their effect on electrochemical performance for supercapacitor

International Nuclear Information System (INIS)

Zhang, Yuqing; Mo, Yan

2014-01-01

Highlights: • Sb-doped SnO 2 coated MnO 2 electrodes (SS-MnO 2 electrodes) are prepared. • The capacitive property and stability of SS-MnO 2 electrode is superior to uncoated MnO 2 electrode and SnO 2 coated MnO 2 electrode. • Sb-doped SnO 2 coating enhances electrochemical performance of MnO 2 effectively. • SS-MnO 2 electrodes are desirable to become a novel electrode material for supercapacitor. - Abstract: To enhance the specific capacity and cycling stability of manganese binoxide (MnO 2 ) for supercapacitor, antimony (Sb) doped tin dioxide (SnO 2 ) is coated on MnO 2 through a sol-gel method to prepare MnO 2 electrodes, enhancing the electrochemical performance of MnO 2 electrode in sodium sulfate electrolytes. The structure and composition of SS-MnO 2 electrode are characterized by using scanning electron microscope (SEM), transmission electron microscope (TEM), Fourier transform infrared spectroscopy (FT-IR) and X-Ray diffraction spectroscopy (XRD). The electrochemical performances are evaluated and researched by galvanostatic charge-discharge test, cyclic voltammogram (CV) and electrochemical impedance spectroscopy (EIS). The results show that SS-MnO 2 electrodes hold porous structure, displaying superior cycling stability at large current work condition in charge-discharge tests and good capacity performance at high scanning rate in CV tests. The results of EIS show that SS-MnO 2 electrodes have small internal resistance. Therefore, the electrochemical performances of MnO 2 electrodes are enhanced effectively by Sb-doped SnO 2 coating

Structure of Chloro bis(1,10-phenanthroline)Cobalt(II) Complex, [Co(phen)2(Cl)(H2O)]Cl · 2H2O

International Nuclear Information System (INIS)

Zhao, Pu Su; Lu, Lu De; Jian, Fang Fang

2003-01-01

The crystal structure of [Co(phen) 2 (Cl)(H 2 O)] Cl · 2H 2 O(phen=1,10-phenanthroline) has been determined by X-ray crystallography. It crystallizes in the triclinic system, space group P 1 , with lattice parameters a=9.662(2), b=11.445(1), c=13.037(2)A, α=64.02(1), β=86.364(9), γ=78.58(2) .deg., and Z=2. The coordinated cations contain a six-coordinated cobalt atom chelated by two phen ligands and one chloride anion and one water ligand in cis arrangement. In addition to the chloride coordinated to the cobalt, there are one chloride ion and four water molecules which complete the crystal structure. In the solid state, the title compound forms three dimensional network structure through hydrogen bonds, within which exists the strongest hydrogen bond (O(3)-O(4)=2.33A). The intermolecular hydrogen bonds connect the [Co(phen) 2 (Cl)(H 2 O)] 1+ , H 2 O moieties and chloride ion

Nd(BrO3)3-Yb(BrO3)3-H2O and Nd2(SeO4)3-Yb2(SeO4)3-H2O systems at 25 deg C

International Nuclear Information System (INIS)

Serebrennikov, V.V.; Batyreva, V.A.; Tsybukova, T.N.

1981-01-01

Using the methods of isothermal solubility the Nd(BrO 3 ) 3 - Yb(BrO 3 ) 3 -H 2 O and Nd 2 (SeO 4 ) 3 -Yb 2 (SeO 4 ) 3 -H 2 O systems are studied at 25 deg C. The compositions of the solid phases are determined by the method of ''residues''. The formation of two series of solid solutions in both systems is established. Besides, there is a crystallization region of Nd 2 (SeO 4 ) 3 in the system of selenates. The solubility diagrams of the systems are presented [ru

The H2O/D2O exchange across vesicular lipid bilayers

International Nuclear Information System (INIS)

Engelbert, H.P.; Lawaczek, R.

1985-01-01

A new method to measure the water (D 2 O/H 2 O) permeation across vesicular lipid bilayers is described. The method is based on the solvent isotope effect of the light scattering which is a consequence of the different indices of refraction of D 2 O and H 2 O. Unilamellar lipid vesicles in excess of H 2 O are rapidly mixed with D 2 O or vice versa. As result of the H 2 O/D 2 O exchange across the vesicular bilayer the light scattering signal has a time dependent, almost single exponential component allowing the deduction of the exchange relaxation rate and, at known size, of the permeability coefficient. The experimental results are in accord with calculations from the Mie theory of light scattering for coated spheres. The method is applicable for large vesicles where the permeation is the rate-limiting step. Size separations are performed by a flow dialysis through a sequence of pore-membrane-filters. For dimyristoyl-lecithin bilayers the water permeability-coefficient is 1.9 . 10 -5 cm/s in the crystalline phase and increases by a factor of 10-100 in the liquid-crystalline state. The temperature dependence of the permeation exhibits a sharp change at the phase transition. For binary mixtures of lecithins this sharp change follows the solidus curve of the non-ideal phase diagram determined by spectroscopic techniques. (orig.)

Complexing in the system Rb2SeO4-UO2SeO4-H2O

International Nuclear Information System (INIS)

Kuchumova, N.V.; Shtokova, I.P.; Serezhkina, L.B.; Serezhkin, V.N.

1989-01-01

Method of isothermal solubility at 25 deg C is used to study interaction of rubidium and uranyl selenates in aqueous solution. Formation of congruently soluble Rb 2 UO 2 (SeO 4 ) 2 x2H 2 O and Rb 2 (UO 2 ) 2 x(SeO 4 ) 3 x6H 2 O is stated. For the last compound crystallographic characteristics (a=10.668; b=14.935(9); c=13.891(7) A; β=104.94(1); Z=4, sp.gr. P2 1 /c) are determined. Thermal decomposition of a compound results in formation of Rb 2 U 2 O 7

Characterization of a real time H2O2 monitor for use in studies on H2O2 production by antibodies and cells.

Science.gov (United States)

Sharma, Harish A; Balcavage, Walter X; Waite, Lee R; Johnson, Mary T; Nindl, Gabi

2003-01-01

It was recently shown that antibodies catalyze a reaction between water and ultraviolet light (UV) creating singlet oxygen and ultimately H2O2. Although the in vivo relevance of these antibody reactions is unclear, it is interesting that among a wide variety of non-antibody proteins tested, the T cell receptor is the only protein with similar capabilities. In clinical settings UV is believed to exert therapeutic effects by eliminating inflammatory epidermal T cells and we hypothesized that UV-triggered H2O2 production is involved in this process. To test the hypothesis we developed tools to study production of H2O2 by T cell receptors with the long-term goal of understanding, and improving, UV phototherapy. Here, we report the development of an inexpensive, real time H2O2 monitoring system having broad applicability. The detector is a Clark oxygen electrode (Pt, Ag/AgCl) modified to detect UV-driven H2O2 production. Modifications include painting the electrode black to minimize UV effects on the Ag/AgCl electrode and the use of hydrophilic, large pore Gelnots electrode membranes. Electrode current was converted to voltage and then amplified and recorded using a digital multimeter coupled to a PC. A reaction vessel with a quartz window was developed to maintain constant temperature while permitting UV irradiation of the samples. The sensitivity and specificity of the system and its use in cell-free and cell-based assays will be presented. In a cellfree system, production of H2O2 by CD3 antibodies was confirmed using our real time H2O2 monitoring method. Additionally we report the finding that splenocytes and Jurkat T cells also produce H2O2 when exposed to UV light.

H2SO4-HNO3-H2O ternary system in the stratosphere

Science.gov (United States)

Kiang, C. S.; Hamill, P.

1974-01-01

Estimation of the equilibrium vapor pressure over the ternary system H2SO4-HNO3-H2O to study the possibility of stratospheric aerosol formation involving HNO3. It is shown that the vapor pressures for the ternary system H2SO4-HNO3-H2O with weight composition around 70-80% H2SO4, 10-20% HNO3, 10-20% H2O at -50 C are below the order of 10 to the minus 8th mm Hg. It is concluded that there exists more than sufficient nitric acid and water vapor in the stratosphere to participate in ternary system aerosol formation at -50 C. Therefore, HNO3 should be present in stratospheric aerosols, provided that H2SO4 is also present.

Magnetic measurements and neutron diffraction study of the layered hybrid compounds Mn(C8H4O4)(H2O)2 and Mn2(OH)2(C8H4O4)

International Nuclear Information System (INIS)

Sibille, Romain; Mesbah, Adel; Mazet, Thomas; Malaman, Bernard; Capelli, Silvia; François, Michel

2012-01-01

Mn(C 8 H 4 O 4 )(H 2 O) 2 and Mn 2 (OH) 2 (C 8 H 4 O 4 ) layered organic–inorganic compounds based on manganese(II) and terephthalate molecules (C 8 H 4 O 4 2− ) have been studied by DC and AC magnetic measurements and powder neutron diffraction. The dihydrated compound behaves as a 3D antiferromagnet below 6.5 K. The temperature dependence of its χT product is typical of a 2D Heisenberg system and allows determining the in-plane exchange constant J≈−7.4 K through the carboxylate bridges. The magnetic structure confirms the in-plane nearest neighbor antiferromagnetic interactions and the 3D ordering. The hydroxide based compound also orders as a 3D antiferromagnet with a higher Néel temperature (38.5 K). Its magnetic structure is described from two antiferromagnetically coupled ferromagnetic sublattices, in relation with the two independent metallic sites. The isothermal magnetization data at 2 K are consistent with the antiferromagnetic ground-state of these compounds. However, in both cases, a slope change points to field-induced modification of the magnetic structure. - Graphical abstract: The macroscopic magnetic properties and magnetic structures of two metal-organic frameworks based on manganese (II) and terephthalate molecules are presented. Highlights: ► Magnetic study of Mn(C 8 H 4 O 4 )(H 2 O) 2 and Mn 2 (OH) 2 (C 8 H 4 O 4 ). ► Two compounds with common features (interlayer linker/distance, S=5/2 spin). ► Magnetic measurements quantitatively analyzed to deduce exchange constants. ► Magnetic structures determined from neutron powder diffraction experiments.

Hydrothermal synthesis and crystal structures of new uranyl oxalate hydroxides: α- and β-[(UO2)2(C2O4)(OH)2(H2O)2] and [(UO2)2(C2O4)(OH)2(H2O)2].H2O

International Nuclear Information System (INIS)

Duvieubourg, Laurence; Nowogrocki, Guy; Abraham, Francis; Grandjean, Stephane

2005-01-01

Two modifications of the new uranyl oxalate hydroxide dihydrate [UO 2 ) 2 (C 2 O 4 )(OH) 2 (H 2 O) 2 ] (1 and 2) and one form of the new uranyl oxalate hydroxide trihydrate [(UO 2 ) 2 (C 2 O 4 )(OH) 2 (H 2 O) 2 ].H 2 O (3) were synthesized by hydrothermal methods and their structures determined from single-crystal X-ray diffraction data. The crystal structures were refined by full-matrix least-squares methods to agreement indices R(wR)=0.0372(0.0842) and 0.0267(0.0671) calculated for 1096 and 1167 unique observed reflections (I>2σ(I)), for α (1) and β (2) forms, respectively and to R(wR)=0.0301(0.0737) calculated for 2471 unique observed reflections (I>2σ(I)), for 3. The α-form of the dihydrate is triclinic, space group P1-bar , Z=1, a=6.097(2), b=5.548(2), c=7.806(3)A, α=89.353(5), β=94.387(5), γ=97.646(5) o , V=260.88(15)A 3 , β-form is monoclinic, space group C2/c, Z=4, a=12.180(3), b=8.223(2), c=10.777(3)A, β=95.817(4), V=1073.8(5)A 3 . The trihydrate is monoclinic, space group P2 1 /c, Z=4, a=5.5095(12), b=15.195(3), c=13.398(3)A, β=93.927(3), V=1119.0(4)A 3 . In the three structures, the coordination of uranium atom is a pentagonal bipyramid composed of dioxo UO 2 2+ cation perpendicular to five equatorial oxygen atoms belonging to one bidentate oxalate ion, one water molecule and two hydroxyl ions in trans configuration in 2 and in cis configuration in 1 and 3. The UO 7 polyhedra are linked through hydroxyl oxygen atoms to form different structural building units, dimers [U 2 O 10 ] obtained by edge-sharing in 1, chains [UO 6 ] ∼ and tetramers [U 4 O 26 ] built by corner-sharing in 2 and 3, respectively. These units are further connected by oxalate entities that act as bis-bidentate to form one-dimensional chains in 1 and bi-dimensional network in 2 and 3. These chains or layers are connected in frameworks by hydrogen-bond arrays

Synthesis and X-ray Crystallography of [Mg(H2O)6][AnO2(C2H5COO)3]2 (An = U, Np, or Pu).

Science.gov (United States)

Serezhkin, Viktor N; Grigoriev, Mikhail S; Abdulmyanov, Aleksey R; Fedoseev, Aleksandr M; Savchenkov, Anton V; Serezhkina, Larisa B

2016-08-01

Synthesis and X-ray crystallography of single crystals of [Mg(H2O)6][AnO2(C2H5COO)3]2, where An = U (I), Np (II), or Pu (III), are reported. Compounds I-III are isostructural and crystallize in the trigonal crystal system. The structures of I-III are built of hydrated magnesium cations [Mg(H2O)6](2+) and mononuclear [AnO2(C2H5COO)3](-) complexes, which belong to the AB(01)3 crystallochemical group of uranyl complexes (A = AnO2(2+), B(01) = C2H5COO(-)). Peculiarities of intermolecular interactions in the structures of [Mg(H2O)6][UO2(L)3]2 complexes depending on the carboxylate ion L (acetate, propionate, or n-butyrate) are investigated using the method of molecular Voronoi-Dirichlet polyhedra. Actinide contraction in the series of U(VI)-Np(VI)-Pu(VI) in compounds I-III is reflected in a decrease in the mean An═O bond lengths and in the volume and sphericity degree of Voronoi-Dirichlet polyhedra of An atoms.

Topology-energy relationships and lowest energy configurations for pentagonal dodecahedral (H2O)20X clusters, X=empty, H2O, NH3, H3O+: The importance of O-topology

Science.gov (United States)

Anick, David J.

2010-04-01

For (H2O)20X water clusters consisting of X enclosed by the 512 dodecahedral cage, X=empty, H2O, NH3, and H3O+, databases are made consisting of 55-82 isomers optimized via B3LYP/6-311++G∗∗. Correlations are explored between ground state electronic energy (Ee) or electronic energy plus zero point energy (Ee+ZPE) and the clusters' topology, defined as the set of directed H-bonds. Linear regression is done to identify topological features that correlate with cluster energy. For each X, variables are found that account for 99% of the variance in Ee and predict it with a rms error under 0.2 kcal/mol. The method of analysis emphasizes the importance of an intermediate level of structure, the "O-topology," consisting of O-types and a list of O pairs that are bonded but omitting H-bond directions, as a device to organize the databases and reduce the number of structures one needs to consider. Relevant variables include three parameters, which count the number of H-bonds having particular donor and acceptor types; |M|2, where M is the cluster's vector dipole moment; and the projection of M onto the symmetry axis of X. Scatter diagrams for Ee or Ee+ZPE versus |M| show that clusters fall naturally into "families" defined by the values of certain discrete parameters, the "major parameters," for each X. Combining "family" analysis and O-topologies, a small group of clusters is identified for each X that are candidates to be the global minimum, and the minimum is determined. For X=H3O+, one cluster with central hydronium lies just 2.08 kcal/mol above the lowest isomer with surface hydronium. Implications of the methodology for dodecahedral (H2O)20(NH4+) and (H2O)20(NH4+)(OH-) are discussed, and new lower energy isomers are found. For MP2/TZVP, the lowest-energy (H2O)20(NH4+) isomer features a trifurcated H-bond. The results suggest a much more efficient and comprehensive way of seeking low-energy water cluster geometries that may have wide applicability.

Study of UO{sub 2}F{sub 2} - H{sub 2}O - HF compounds; Etude des composes UO{sub 2}F{sub 2} - H{sub 2}O - HF

Energy Technology Data Exchange (ETDEWEB)

Neveu, G [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

1961-07-01

We study various compounds resulting from the interaction of UO{sub 2}F{sub 2} with H{sub 2}O and HF (gas), and various triple compounds UO{sub 2}F{sub 2} - H{sub 2}O - HF; the conditions of decomposition and the thermodynamic limits of stability are specified. (author) [French] Nous etudions divers composes formes par reaction de UO{sub 2}F{sub 2} avec H{sub 2}O et HF (gaz) et divers composes triples UO{sub 2}F{sub 2} - H{sub 2}O - HF, en essayant de preciser les decompositions et domaines d'exisfence thermodynamiques de ces corps. (auteur)

Dehydration of MoO 3 · 2H 2O: A Neutron Thermodiffractometry Study

Science.gov (United States)

Boudjada, N.; Rodríguez-Carvajal, J.; Anne, M.; Figlarz, M.

1993-07-01

A neutron powder thermodiffractometric study of the dehydration reactions MoO 3 · 2H 2O → MoO 3 · H 2O → MoO 3 has been carried out in order to investigate the topotactic mechanism previously reported. The topotactic character of the reactions is confirmed and an approximate model for the crystal structure of MoO 3 · H 2O is proposed. Quantitative data about the relative amount of the existing phases, as a function of temperature, have been deduced from multiphase profile analysis. The anomalous behavior of the cell parameters of MoO 3 · H 2O, at about 100°C, indicates the existence of a new phase transition. The evolution of the crystallite size of MoO 3 has also been obtained from the broadening of Bragg reflections at high temperature. The preferred direction of growth is along [021].

Application of the EPR technique in welded couplings in 08X18H10T (AISI 321) stainless steel

International Nuclear Information System (INIS)

Fuentes, D.A.; Menendez, C.M.; Dominguez, H.; Sendoya, F.

1993-01-01

Stainless steel samples, one AISI 304 and the other 08X18H10T of Soviet origin (equivalent to AISI 320) were welded for the TIG method, submitted to a thermal treatment in order to its sensitization against the intergranular corrosion, then the samples were submitted to the EPR technique in order to establish the sensitization degree which is an indicative of susceptibility to intergranular corrosion. The result were corroborated by two different methodologies, the ASTM A262 standard and the soviet standard GOST 6032-89. The state of the tested surface was analyzed using optical microscopy in order to quantify the number of pricking since its presence disturbs the normalized charge, Pa. (Author)

Physical limit of stability in supercooled D2O and D2O+H2O mixtures

Science.gov (United States)

Kiselev, S. B.; Ely, J. F.

2003-01-01

The fluctuation theory of homogeneous nucleation was applied for calculating the physical boundary of metastable states, the kinetic spinodal, in supercooled D2O and D2O+H2O mixtures. The kinetic spinodal in our approach is completely determined by the surface tension and equation of state of the supercooled liquid. We developed a crossover equation of state for supercooled D2O, which predicts a second critical point of low density water-high density water equilibrium, CP2, and represents all available experimental data in supercooled D2O within experimental accuracy. Using Turnbull's expression for the surface tension we calculated with the crossover equation of state for supercooled D2O the kinetic spinodal, TKS, which lies below the homogeneous nucleation temperature, TH. We show that CP2 always lies inside in the so-called "nonthermodynamic habitat" and physically does not exist. However, the concept of a second "virtual" critical point is physical and very useful. Using this concept we have extended this approach to supercooled D2O+H2O mixtures. As an example, we consider here an equimolar D2O+H2O mixture in normal and supercooled states at atmospheric pressure, P=0.1 MPa.

Comparative study of the corrosion behaviour of plasma nitrocarburised AISI 4140 steel before and after post-oxidation

International Nuclear Information System (INIS)

Heydarzadeh Sohi, M.; Ebrahimi, M.; Honarbakhsh Raouf, A.; Mahboubi, F.

2010-01-01

In this study, the corrosion behaviour of plasma nitrocarburised AISI 4140 steel before and after post-oxidation was investigated. Plasma nitrocarburising was carried out at 530 o C, 570 o C and 630 o C for 5 h in an atmosphere consisting of 80 vol.% N 2 , 17 vol.% H 2 and 3 vol.% CO 2 . After nitrocarburising, plasma post-oxidation was performed at 450 o C for 1 h in a gas mixture of 50 vol.% O 2 and 50 vol.% H 2 . The microstructure of the treated samples was characterized using X-ray diffraction, scanning electron microscopy and surface roughness techniques. Dynamic polarization test was also used to evaluate the corrosion resistance of the samples. The results indicated that the compound layer was composed of ε-Fe 2-3 (N, C) and γ'-Fe 4 (N, C) phases. The amount of ε-Fe 2-3 (N, C) phase increased as the treatment temperature rose from 530 o C to 570 o C and decreased at 630 o C. The X-ray diffraction patterns of post-oxidized samples confirmed the formation of the highest amount of magnetite after post-oxidation of samples that had been nitrocarburised at 570 o C as compared with the samples that had been treated at 530 o C and 630 o C. Nitrocarburising at 570 o C followed by post-oxidation also provided the highest corrosion resistance among all treatment conditions.

Dexmedetomidine attenuates H2O2-induced cell death in human osteoblasts.

Science.gov (United States)

Yoon, Ji-Young; Park, Jeong-Hoon; Kim, Eun-Jung; Park, Bong-Soo; Yoon, Ji-Uk; Shin, Sang-Wook; Kim, Do-Wan

2016-12-01

Reactive oxygen species play critical roles in homeostasis and cell signaling. Dexmedetomidine, a specific agonist of the α 2 -adrenoceptor, has been commonly used for sedation, and it has been reported to have a protective effect against oxidative stress. In this study, we investigated whether dexmedetomidine has a protective effect against H 2 O 2 -induced oxidative stress and the mechanism of H 2 O 2 -induced cell death in normal human fetal osteoblast (hFOB) cells. Cells were divided into three groups: control group-cells were incubated in normoxia without dexmedetomidine, hydrogen peroxide (H 2 O 2 ) group-cells were exposed to H 2 O 2 (200 µM) for 2 h, and Dex/H 2 O 2 group-cells were pretreated with dexmedetomidine (5 µM) for 2 h then exposed to H 2 O 2 (200 µM) for 2 h. Cell viability and apoptosis were evaluated. Osteoblast maturation was determined by assaying bone nodular mineralization. Expression levels of bone-related proteins were determined by western blot. Cell viability was significantly decreased in the H 2 O 2 group compared with the control group, and this effect was improved by dexmedetomidine. The Hoechst 33342 and Annexin-V FITC/PI staining revealed that dexmedetomidine effectively decreased H 2 O 2 -induced hFOB cell apoptosis. Dexmedetomidine enhanced the mineralization of hFOB cells when compared to the H 2 O 2 group. In western blot analysis, bone-related protein was increased in the Dex/H 2 O 2 group. We demonstrated the potential therapeutic value of dexmedetomidine in H 2 O 2 -induced oxidative stress by inhibiting apoptosis and enhancing osteoblast activity. Additionally, the current investigation could be evidence to support the antioxidant potential of dexmedetomidine in vitro.

[Protective effect of taxifolin on H2O2-induced 
H9C2 cell pyroptosis].

Science.gov (United States)

Ye, Yanqiong; Wang, Xiaoli; Cai, Qian; Zhuang, Jian; Tan, Xiaohua; He, Wei; Zhao, Mingyi

2017-12-28

To explore the effect of taxifolin on H2O2-induced pyroptosis in H9C2 cells and the possible mechanisms.
 Methods: The H9C2 cells was divided into 3 groups: a control group, a hydrogen peroxide (H2O2)group and a taxifolin group. The morphology of H9C2 cells was observed by inverted phase contrast microscope. The mitochondrial membrane potential was measured by JC-1 staining and flow cytometry. The alteration of the level of reactive oxygen species (ROS) was detected by specific mitochondrial probe. The protein levels of cysteinyl aspartate specific proteinase-1 (caspase-1)was determined by Western blot. The mRNA levels of interleukin-18 (IL-18), interleukin-1a (IL-1a), interleukin-1b (IL-1b), absent in melanoma 2 (AIM2), apoptosis-associated apeck-like protein (ASC), nucleotide-binding oligomerization domain-like receptor protein 3 (NLRP3)and nucleotide-binding oligomerization domain-like receptor family caspase recruitment domain-containing protein 4 (NLRC4) were determined by reverse transcription-polymerase chain reaction (RT-PCR).
 Results: Compared with the control group, the morphology of H9C2 cells obviously changed in the H2O2-treated group, which was guadually improved in the presence of taxifolin. Compared with the control group, the mitochondrial membrane potential was markedly decreased in the H2O2-treated cells, accompanied by the increase ofROS (both PH2O2 group, the mitochondrial membrane potential changes in the taxifolin group was increased while the ROS was decreased, with significant difference (both PH2O2-treated group were significantly increased (all PH2O2-induced H9C2 cell pyroptosis through inhibition of AIM2, NLRP3 and NLRC4 in flammasome.

Positronium formation and hydrated positron reactions in H2O, D2O, 1.74 M PPS/H2O and 1.74 M PPS/D2O solutions of Cl−, Br− and I−

DEFF Research Database (Denmark)

Mogensen, O. E.; Pedersen, Niels Jørgen

1986-01-01

Angular correlation of annihilation photons were measured for H2O, D2O, 1.74 M PPS/H2O and 1.74 M PPS/D2O solutions of Cl−, Br− and I−. The three components of the angular correlation spectra for D2O and H2O were nearly identical in shape. The positronium (Ps) yields for the H2O and D2O solutions...... before annihilation (lifetime 400 ps) was determined for the three halides in the four solvents. Simple kinetic equations (“trapping model”) with time dependent rate constant, solved analytically, could explain the [X−, e+] formation in H2O fairly well for concentrations below 0.03 M X−, if a diffusion...... controlled reaction with positron diffusion constant D = 5 × 10−5 cm2/s and reaction radius R = 1 nm were assumed. The three halides gave roughly identical [X−, e+] formation below 0.03 M X−. The difference between the four solutions could be explained partly only in terms of viscosity change for the model...

UV and VUV photolysis vs. UV/H2O2 and VUV/H2O2, treatment for removal of clofibric acid from aqueous solution.

Science.gov (United States)

Li, Wenzhen; Lu, Shuguang; Qiu, Zhaofu; Lin, Kuangfei

2011-07-01

Clofibric acid (CA), a metabolite of lipid regulators, was investigated in ultra-pure water and sewage treatment plant (STP) effluent at 10 degrees C under UV, vacuum UV (VUV), UV/H2O2 and VUV/H2O2 processes. The influences of NO3-, HCO3- and humic acid (HA) on CA photolysis in all processes were examined. The results showed that all the experimental data well fitted the pseudo-first-order kinetic model, and the apparent rate constant (k(ap)) and half-life time (t(1/2)) were calculated accordingly. Direct photolysis of CA through UV irradiation was the main process, compared with the indirect oxidation of CA due to the slight generation of hydroxyl radicals dissociated from water molecules under UV irradiation below 200 nm monochromatic wavelength emission. In contrast, indirect oxidation was the main CA degradation mechanism in UV/H2O2 and VUV/H2O2, and VUV/H2O2 was the most effective process for CA degradation. The addition of 20 mg L(-1) HA could significantly inhibit CA degradation, whereas, except for UV irradiation, the inhibitive effects of NO3- and HCO3- (1.0 x 10(-3) and 0.1 mol L(-1), respectively) on CA degradation were observed in all processes, and their adverse effects were more significant in UV/H2O2 and VUV/H2O2 processes, particularly at the high NO3- and HCO3- concentrations. The degradation rate decreased 1.8-4.9-fold when these processes were applied to a real STP effluent owing to the presence of complex constituents. Of the four processes, VUV/H2O2 was the most effective, and the CA removal efficiency reached over 99% after 40 min in contrast to 80 min in both the UV/H2O2 and VUV processes and 240 min in the UV process.

Chlorogenic acid analogues from Gynura nepalensis protect H9c2 cardiomyoblasts against H2O2-induced apoptosis.

Science.gov (United States)

Yu, Bang-Wei; Li, Jin-Long; Guo, Bin-Bin; Fan, Hui-Min; Zhao, Wei-Min; Wang, He-Yao

2016-11-01

Chlorogenic acid has shown protective effect on cardiomyocytes against oxidative stress-induced damage. Herein, we evaluated nine caffeoylquinic acid analogues (1-9) isolated from the leaves of Gynura nepalensis for their protective effect against H 2 O 2 -induced H9c2 cardiomyoblast damage and explored the underlying mechanisms. H9c2 cardiomyoblasts were exposed to H 2 O 2 (0.3 mmol/L) for 3 h, and cell viability was detected with MTT assay. Hoechst 33342 staining was performed to evaluate cell apoptosis. MMPs (mitochondrial membrane potentials) were measured using a JC-1 assay kit, and ROS (reactive oxygen species) generation was measured using CM-H 2 DCFDA. The expression levels of relevant proteins were detected using Western blot analysis. Exposure to H 2 O 2 markedly decreased the viability of H9c2 cells and catalase activity, and increased LDH release and intracellular ROS production; accompanied by a loss of MMP and increased apoptotic rate. Among the 9 chlorogenic acid analogues as well as the positive control drug epigallocatechin gallate (EGCG) tested, compound 6 (3,5-dicaffeoylquinic acid ethyl ester) was the most effective in protecting H9c2 cells from H 2 O 2 -induced cell death. Pretreatment with compound 6 (1.56-100 μmol/L) dose-dependently alleviated all the H 2 O 2 -induced detrimental effects. Moreover, exposure to H 2 O 2 significantly increased the levels of Bax, p53, cleaved caspase-8, and cleaved caspase-9, and decreased the level of Bcl-2, resulting in cell apoptosis. Exposure to H 2 O 2 also significantly increased the phosphorylation of p38, JNK and ERK in the H9c2 cells. Pretreatment with compound 6 (12.5 and 25 μmol/L) dose-dependently inhibited the H 2 O 2 -induced increase in the level of cleaved caspase-9 but not of cleaved caspase-8. It also dose-dependently suppressed the H 2 O 2 -induced phosphorylation of JNK and ERK but not that of p38. Compound 6 isolated from the leaves of Gynura nepalensis potently protects H9c2