979 resultados para FE-analysis


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Ab initio calculations of large cluster models have been performed in order to study water adsorption at the five-fold coordinated adsorption site on pure Mg(001) and MgO(001) surfaces doped with Fe, Ca, and Al. The geometric parameters of the adsorbed water molecule have been optimized preparatory to analysis of binding energies, charge transfer, preferential sites of interaction, and bonding distances. We have used Mulliken population analysis methods in order to analyze charge distributions and the direction of charge transfer. We have also investigated energy gaps, HOMO energies, and SCF orbital energies as well as the acid-base properties of our cluster model. Numerical results are compared, where possible, with experiment and interpreted in the framework of various analytical models. (C) 2001 John Wiley & Sons, Inc.

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The electrical and microstructural properties of SnO2-based varistors with the addition of 0.025 and 0.050 mol% of Fe2O3 have been characterised. Electric field (E) versus current density (J) curves showed that the effect of Fe2O3 addition is to increase both the non-linear coefficient and the breakdown voltage. Variations in the potential barrier height were inferred from impedance spectroscopy (IS) analysis. Through transmission electron microscopy (TEM), the presence of precipitates of secondary phases was confirmed. Samples with precipitates displayed poor electrical properties. (c) 2004 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

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This study reports the photodegradation of 4-chlorophenol (4-CP) in aqueous solution by the photo-Fenton process using solar irradiation. The influence of solution path length, and Fe(NO3)(3) and H2O2 concentrations on the degradation of 4-CP is evaluated by response surface methodology. The degradation process was monitored by the removal of total organic carbon (TOC) and the release of chloride ion. The results showed a very important role of iron concentration either for TOC removal or dechlorination. on the other hand, a negative effect of increasing solution path length on mineralization was observed, which can be compensated by increasing the iron concentration. This permits an adjustment of the iron concentration according to the irradiation exposure area and path length (depth of a tank reactor). Under optimum conditions of 1.5 mM Fe(NO3)(3), 20.0 mM H2O2 and 4.5 cm solution path length, 17 min irradiation under solar light were sufficient to reduce a 72 mg C L-1 solution of 4-CP by 91 (c) 2006 Elsevier B.V. All rights reserved.

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The compounds [Fe(bda)(CO)(2)L] and [Fe(ch)(CO)(2)L], (bda=benzylideneacetone; ch=chalcone; L=CO, PPh3) were investigated by thermogravimetry and derivative thermogravimetry (TG and DTG). The fragmentation patterns suggest that the iron atom protects the enone fragment, so that the organic ligands break up with the loss of the pendant aromatic rings.

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Transmission and scanning electron microscopy techniques were used to study the heterogeneities found in the microstructure of (SnO2Co3O4Nb2O5Fe2O3)-Co-.-Nb-.-Fe-. and (SnO2ZnONb2O5FC2O3)-Zn-.-Nb-.-F-. varistors. Second phases encountered both inside the grains and ingrain boundary regions were identified using energy dispersive spectrometry and electron diffraction patterns. Through the electrical characterisation, the presence of iron oxide among the additives was determined to highlight the non-linear properties of the specimens. A discussion on the influence of second phases on the non-linear features of these systems is also addressed. (C) 2004 Elsevier Ltd. All rights reserved.

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The present paper quantifies and develops the kinetic aspects involved in the mechanism of interplay between electron and ions presented elsewhere(1) for KhFek[Fe(CN)(6)](l)center dot mH(2)O (Prussian Blue) host materials. Accordingly, there are three different electrochemical processes involved in the PB host materials: H3O+, K+, and H+ insertion/extraction mechanisms which here were fully kinetically studied by means of the use of combined electronic and mass transfer functions as a tool to separate all the processes. The use of combined electronic and mass transfer functions was very important to validate and confirm the proposed mechanism. This mechanism allows the electrochemical and chemical processes involved in the KhFek[Fe(CN)(6)](l)center dot mH(2)O host and Prussian Blue derivatives to be understood. In addition, a formalism was also developed to consider superficial oxygen reduction. From the analysis of the kinetic processes involved in the model, it was possible to demonstrate that the processes associated with K+ and H+ exchanges are reversible whereas the H3O+ insertion process was shown not to present a reversible pattern. This irreversible pattern is very peculiar and was shown to be related to the catalytic proton reduction reaction. Furthermore, from the model, it was possible to calculate the number density of available sites for each intercalation/deintercalation processes and infer that they are very similar for K+ and H+. Hence, the high prominence of the K+ exchange observed in the voltammetric responses has a kinetic origin and is not related to the amount of sites available for intercalation/deintercalation of the ions.

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The thermal behaviour of polymetallic metal carbonyls containing Fe-Fe, Fe-Hg and Hg-Hg bonds and Lewis bases, such as [Fe-3(CO)(8)(L)(2)] (L = 1,10-phenantroline,2,2'-bipyridine), [Fe(CO)(4)(HgCl)(2)] and [Fe(CO)(4)(HgCl)(2)(L)(2)] (L = 1,10-phenantroline,2-quinolinethiol), have been investigated by thermal analysis (TG), Thermal studies give evidence that the thermal decomposition mechanisms and starting temperatures are strongly influenced by the Lewis bases. The thermal decompositions under synthetic air yielded, in all cases, the final solid product Fe2O3 which presence was confirmed by X-ray powder diffraction technique.

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The effects of bath composition and electroplating conditions on structure, morphology, and composition of amorphous Fe-Cr-P-Co deposits on AISI 1020 steel substrate, priorly plated with a thin Cu deposit, were investigated. The increase of charge density activates the inclusion of Cr in the deposit. However, above specific values of the charge density, which depend on the deposition current density, the Cr content in the deposit decreases. This Cr content decreasing is probably due to the significant hydrogen evolution with the increasing of deposition cur-rent and charge density. The effect of charge density on the content of Fe and Co is not clear. However, there is a tendency of increasing of Fe content and decreasing of Co content with the raising of current density. The Co is more easily deposited than the P, and its presence results in a more intense inhibition effect on the Cr deposition than the inhibition effect caused by P presence. Scanning electron microscope (SEM) analysis showed that Co increasing in the Fe-Cr-P-Co alloys analyzed does not promote the susceptibility to microcracks, which led to a good quality deposit. The passive film of the Fe-Cr-P-Co alloy shows a high ability formation and high protective capacity, and the results obtained by current density of corrosion, j(cor), show that the deposit with addition of Co, Fe31Cr11P28Co30, presents a higher corrosion resistance than the deposit with addition of Ni, Fe54Cr21P20Ni5. (C) 2004 Published by Elsevier B.V.

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The feasibility of Portland cement analysis by introduction of slurries in an inductively coupled plasma optical emission spectrometer (ICP-OES) with axial viewing has been evaluated. After a fast manual grinding of the cement samples, owing to the pulverized state of this material, 0.1% m/v slurries were prepared in 1% v/v HCl. The calibration was performed adopting two strategies: one based on slurries prepared from different masses (50, 75, 100 and 125 mg) of a Portland cement standard reference material (NIST SRM 1881), and the other one based on aqueous reference solutions. A complete analysis of cement for major (Al, Ca, Fe, Mg and Si), minor and trace elements (Mn, P, S, Sr and Ti) was accomplished. Both strategies led to accurate results for commercial Portland cement samples, except for Si and Ti. for which the calibration with aqueous reference solutions resulted in low values. Applying a paired t-test it was shown that most results were in agreement at a 95% confidence level with a conventional fusion decomposition procedure. The ICP-OES with axial viewing and end-on gas configuration for removal of the recombination plasma zone was effective for cement slurry analysis without any undesirable particle deposition in the pre-optics interface and without severe spectral interferences. (C) 2002 Elsevier B.V. B.V. All rights reserved.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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Alkaline earth stannates have recently become important materials in ceramic technology due to its application as humidity sensor. In this work, alkaline earth stannates doped with Fe3+ were synthesized by the polymeric precursor method, with calcination at 300 A degrees C/7 h and between 400 and 1100 A degrees C/4 h. The powder precursors were characterized by TG/DTA after partial elimination of carbon. Characterization after the second calcination step was done by X-ray diffraction, infrared spectroscopy, and UV-vis spectroscopy. Results confirmed the formation of the SrSnO3:Fe with orthorhombic perovskite structure, besides SrCO3 as secondary phase. Crystallization occurred at 600 A degrees C, being much lower than the crystallization temperature of perovskites synthesized by solid state reaction. The analysis of TG curves indicated that the phase crystallization was preceded by two thermal decomposition steps. Carbonate elimination occurred at two different temperatures, around 800 A degrees C and above 1000 A degrees C.

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