Search results for: nitrile oxides

Authors: Imad Eddine Charif, Wafaa Benchouk, Sidi Mohamed Mekelleche

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The regioselectivity of a series of 16 1,3-dipolar cycloaddition reactions of nitrile oxides with 2(5H)-furanones has been analysed by means of global and local electrophilic and nucleophilic reactivity indices using density functional theory at the B3LYP level together with the 6-31G(d) basis set. The local electrophilicity and nucleophilicity indices, based on Fukui and Parr functions, have been calculated for the terminal sites, namely the C1 and O3 atoms of the 1,3-dipole and the C4 and C5 atoms of the dipolarophile. These local indices were calculated using both Mulliken and natural charges and spin densities. The results obtained show that the C5 atom of the 2(5H)-furanones is the most electrophilic site whereas the O3 atom of the nitrile oxides is the most nucleophilic centre. It turns out that the experimental regioselectivity is correctly reproduced, indicating that both Fukui- and Parr-based indices are efficient tools for the prediction of the regiochemistry of the studied reactions and could be used for the prediction of newly designed reactions of the same kind.

Keywords: 1, 3-dipolar cycloaddition, density functional theory, nitrile oxides, regioselectivity, reactivity indices

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Authors: Samir Hmaimou, Marouane Ait Lahcen, Mohamed Adardour, Mohamed Maatallah, Abdesselam Baouid

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Due to (3 + 2) cycloaddition and condensation reaction, a wide range of synthetic routes can be used to obtain biologically active heterocyclic compounds. Condensation and (3+2) cycloaddition reactions in heterocyclic syntheses are versatile due to the wide variety of possible combinations of several atoms of the reactants. In this article, we first outline the synthesis of benzodiazepine 4 with two dipolarophilic centers (C=C and C=N) by condensation reaction. Then, we use it for cycloaddition reactions (3+2) with nitrile oxides to prepare oxadiazole-benzodiazepines and pyrazole-benzodiazepine compounds. ¹H and ¹³C NMR are used to establish all the structures of the synthesized products. These condensation and cycloaddition reactions were then analyzed using density functional theory (DFT) calculations at the B3LYP/6-311G(d,p) theoretical level. In this study, the mechanism of the one-step cycloaddition reaction was investigated. Molecular electrostatic potential (MEP) was used to identify the electrophilic and nucleophilic attack sites of the molecules studied. Additionally, Fukui investigations (electrophilic f- and nucleophilic f+) in the various reaction centers of the reactants demonstrate that, whether in the condensation reaction or cycloaddition, the reaction proceeds through the atomic centers with the most important Fukui functions, which is in full agreement with experimental observations. In the condensation reaction, thermodynamic control of regio, chemo, and stereoselectivity is observed, while those of cycloaddition are subject to kinetic control.

Keywords: cycloaddition reaction, regioselectivity, mechanism reaction, NMR analysis

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Authors: George B. Abaka-Wood, Massimiliano Zanin, Jonas Addai-Mensah, William Skinner

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The versatility of froth flotation has made it vital in the beneficiation of rare earth elements minerals from either high or low-grade ores. There has been a significant increase in the quantity of iron oxide silicate-rich tailings generated from the extraction of primary commodities such as copper and gold in Australia, which have been identified to contain very low-grade rare earth oxides (≤ 1%). There is a vast knowledge gap in the beneficiation of rare earth oxides from such tailings. The aim of this research is to investigate the feasibility of using fatty acids as collectors for the flotation recovery and upgrade of rare earth oxides from selected iron-oxide silicate-rich tailings. Two forms of fatty acid collectors (oleic acid and sodium oleate) were tested in this investigation. Flotation tests were carried out using a 1.2 L Denver D-12 cell. The effects of pulp pH, fatty acid dosage, particle size distribution (-150 +75 µm, -75 +38 µm and -38 µm) and conventional depressants (sodium silicate and starch) dosage on flotation recovery of rare earth oxides were investigated. A comparison of the flotation results indicated that sodium oleate was the more efficient fatty acid for rare earth oxides flotation at all the pulp pH investigated. The flotation performance was found to be particle size-dependent. Both sodium silicate and starch were unselective in decreasing the recovery of iron oxides and silicate minerals, respectively with the corresponding decrease in rare earth oxides recovery. Generally, iron oxides and silicate minerals formed the substantial fraction of the flotation concentrates obtained, both in the absence and presence of depressants, resulting in a generally low rare earth oxides upgrade, even though rare earth oxides recoveries were high. The flotation tests carried out on the tailings sample suggest the feasibility of rare earth oxides recovery using fatty acids, although particle size distribution and minerals liberation are key limiting factors in achieving selective rare earth oxides upgrade.

Keywords: depressants, flotation, oleic acid, sodium oleate

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Authors: Davyd Urbanas, Pranas Baltrenas

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It is well-known that, despite the constant increase of alternative energy sources usage, today combustible fuels are still widely used in power engineering. As a result of fuel combustion, significant amounts of nitrogen oxides (NOx) and carbon monoxide (CO is a product of incomplete combustion) are supplied to the atmosphere. Also, these pollutants are formed in industry (chemical production, refining, and metal production). In this work, the investigation of nitrogen oxides CO-selective catalytic reduction using new grain load-type catalysts was carried out. The catalysts containing the substrate and a thin active coating made of transition metal (Mn, Cu, and Nb) oxides were prepared with the use of electroless chemical deposition method. Chemical composition, chemical state, and morphology of the formed active coating were investigated using ICP-OES, EDX, SEM, and XPS techniques. The obtained results revealed that the prepared catalysts (Cu-Mn-oxide and Cu-Mn-Nb-oxide) have rough and developed surface and can be successfully used for the flue gas catalytic purification. The significant advantage of prepared catalysts is their suitability from technological application point of view, which differs this work from others dedicated to gas purification by SCR.

Keywords: flue gas, nitrogen oxides, selective catalytic reduction, transition metal oxides

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Authors: Abobakr Khidir Ziyada, Cecilia Devi Wilfred

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In the present work, a new series of 3-propanenitrile imidazolium-based Room Temperature Ionic Liquids (RTILs), incorporating dioctyl sulfosuccinate (DOSS) were prepared by reacting imidazole with acrylonitrile and then reacting the product with allyl chloride, 2-chloroethanol, and benzyl chloride. After the reaction had been completed, metathesis reaction was carried out using sodium dioctyl sulfosuccinate. The densities and viscosities of the present RTILs were measured at atmospheric pressure at T=293.15 to 353.15 K, the refractive index was measured at T=293.15 to 333.15 K, whereas, the start and decomposition temperatures were determined at heating rate 10°C. min^-1. The thermal expansion coefficient, densities at a range of temperatures and pressures, molecular volume, molar refraction, standard entropy and the lattice energy of these RTILs were also estimated. The present RTILs showed higher densities, similar refractive indices, and higher viscosities compared to the other 1-alkyl-3-propanenitrile imidazolium-based RTILs. The densities of the present synthesized RTILs are lower compared to the other nitrile-functionalized ILs. These present RTILs showed a weak temperature dependence on the thermal expansion coefficients, αp=5.0 × 10^−4 to 7.50 × 10−4 K^-1. Empirical correlations were proposed to represent the present data on the physical properties. The lattice energy for the present RTILs was similar to other nitrile–based imidazolium RTILs. The present RTILs showed very high molar refraction when compared similar RTILs incorporating other anions.

Keywords: dioctyl sulfosuccinate, nitrile ILs, 3-propanenitrile, anion, room temperature ionic liquids, RTIL

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Authors: Arpan Kumar Nayak, Debabrata Pradhan

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A simple, single-step and one-pot hydrothermal method was employed to synthesize WO₃-SnO₂ mixed nanostructured metal oxides at 200°C in 12h. The SnO₂ nanoparticles were found to be uniformly decorated on the WO₃ nanoplates. Though it is widely known that noble metals such as Pt, Pd doping or decoration on metal oxides improve the sensing response and sensitivity, we varied the SnO₂ concentration in the WO₃-SnO₂ mixed oxide and demonstrated their performance in ammonia, ethanol and acetone sensing. The sensing performance of WO₃-(x)SnO₂ [x = 0.27, 0.54, 1.08] mixed nanostructured oxides was found to be not only superior to that of pristine oxides but also higher/better than that of reported noble metal-based sensors. The sensing properties (selectivity, limit of detection, response and recovery times) are measured as a function of operating temperature (150-350°C). In particular, the gas selectivity is found to be highly temperature-dependent with optimum performance obtained at 200°C, 300°C and 350°C for ammonia, ethanol, and acetone, respectively. The present results on cost effective WO₃-SnO₂ sensors can find potential application in human breath analysis by noninvasive detection.

Keywords: gas sensing, mixed oxides, nanoplates, ammonia, ethanol, acetone

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Authors: Ennouri Triki, Toan Vu-Khanh

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Resistance to combined puncture/cutting by pointed blades is an important property of gloves materials. The purpose of this study is to propose an approach derived from the fracture mechanics theory to calculate the fracture energy associated to the puncture/cutting of nitrile rubber. The proposed approach is also based on the application of a sample pre-strained during the puncture/cutting test in order to remove the contribution of friction. It was validated with two different pointed blade angles of 22.5° and 35°. Results show that the applied total fracture energy corresponding to puncture/cutting is controlled by three energies, one is the fracture energy or the intrinsic strength of the material, the other reflects the friction energy between a pointed blade and the material. For an applied pre-strain energy (or tearing energy) of high value, the friction energy is completely removed. Without friction, the total fracture energy is constant. In that case, the fracture contribution of the tearing energy is marginal. Growth of the crack is thus completely caused by the puncture/cutting by a pointed blade. Finally, results suggest that the value of the fracture energy corresponding to puncture/cutting by pointed blades is obtained at a frictional contribution of zero.

Keywords: elastomer, energy, fracture, friction, pointed blades

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Authors: Adriana-Gabriela Plaiasu, Catalin Marian Ducu

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The interest in the unique properties associated with materials having structures on a nanometer scale has been increasing at an exponential rate in last decade. Among the functional mineral compounds such as perovskite (CaTiO3), rutile (TiO2), CaF2, spinel (MgAl2O4), wurtzite (ZnS), zincite (ZnO) and the cupric oxide (CuO) has been used in numerous applications such as catalysis, semiconductors, batteries, gas sensors, biosensors, field transistors and medicine. The Solar Physical Vapor Deposition (SPVD) presented in the paper as elaboration method is an original process to prepare nanopowders working under concentrated sunlight in 2kW solar furnaces. The influence of the synthesis parameters on the chemical and microstructural characteristics of zinc and manganese oxides synthesized nanophases has been systematically studied using XRD, TEM and SEM.

Keywords: characterization, morphological, nano-oxides, structural

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Authors: Vrinda P. S. Borker

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Major water pollutants are dyes from effluents of industries. Different methods have been tried to degrade or treat the effluent before it is left to the environment. In order to understand the degradation process and later apply it to effluents, solar degradation study of methylene blue (MB) and methyl red (MR), the model dyes was carried out in the presence of photo-catalysts, the oxides of cobalt oxide Co₃O₄, and copper doped cobalt oxides (Co₀.₉Cu₀.₁)₃O₄ and (Co₀.₉₅Cu₀.₀₅)₃O₄. They were prepared from oxalate complex and hydrazinated oxalate complex of cobalt as well as mix metals, copper, and cobalt. The complexes were synthesized and characterized by FTIR. Complexes were decomposed to form oxides and were characterized by XRD. They were found to be monophasic. Solar degradation of MR and MB was carried out in presence of these oxides in acidic and basic medium. Degradation was faster in alkaline medium in the presence of Co₃O₄ obtained from hydrazinated oxalate. Doping of nanomaterial oxides modifies their characteristics. Doped cobalt oxides are found to photo-decolourise MR in alkaline media efficiently. In the absence of photocatalyst, solar degradation of alkaline MR does not occur. In acidic medium, MR is minimally decolorized even in the presence of photocatalysts. The industrial textile effluent contains chemicals like NaCl and Na₂CO₃ along with the unabsorbed dye. It is reported that these two chemicals hamper the degradation of dye. The chemicals like K₂S₂O₈ and H₂O₂ are reported to enhance degradation. The solar degradation study of MB in presence of photocatalyst (Co₀.₉Cu₀.₁)₃O₄ and these four chemicals reveals that presence of K₂S₂O₈ and H₂O₂ enhances degradation. It proves that H₂O₂ generates hydroxyl ions required for degradation of dye and the sulphate anion radical being strong oxidant attacks dye molecules leading to its fragmentation rapidly. Thus addition of K₂S₂O₈ and H₂O₂ during solar degradation in presence of (Co₀.₉Cu₀.₁)₃O₄ helps to break the organic moiety efficiently.

Keywords: cobalt oxides, Cu-doped cobalt oxides, H₂O₂ in dye degradation, photo-catalyst, solar dye degradation

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Authors: Basem A. El Werfallia, Osama R. Shaltamiab, Ragab M. Al Alwanyc

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The present work aims to characterize the geochemistry of the beach sands along the Mediterranean Coast from Al Kuwifia to Tolmeita, NE Libya. The major oxides CaO and MgO are the main constituents of the carbonate minerals; calcite and aragonite. SiO2 is mainly in the form of quartz. Sometimes a high quotient of SiO2 together with the oxides; Al2O3, K2O and partly of Na2O, TiO2 and Fe2O3 are essentially allocated within the structure of the feldspars. Part of Na2O and the content of Cl belong mainly to halite. Part of Fe2O3 and TiO2 may be accommodated as iron oxyhydroxides. Part of CaO and the content of SO3 are allotted within the gypsum structure. Ba, Sr, Th, U and REE are basicallycontrolled by the carbonate fraction, while Cu, Zn, V and Cr are strongly correlated with Al2O3.

Keywords: geochemistry, major oxides, Al Kuwifia, Tolmeita

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Authors: Basem A. El Werfalli, Osama R. Shaltamiab, Ragab M. Al Alwany

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The present work aims to characterize the geochemistry of the beach sands along the Mediterranean Coast from Al Kuwifia to Tolmeita, NE Libya. The major oxides CaO and MgO are the main constituents of the carbonate minerals; calcite and aragonite. SiO₂ is mainly in the form of quartz. Sometimes a high quotient of SiO₂ together with the oxides; Al₂O₃, K₂O and partly of Na₂O, TiO₂ and Fe₂O₃ are essentially allocated within the structure of the feldspars. Part of Na₂O and the content of Cl belong mainly to halite. Part of Fe₂O₃ and TiO₂ may be accommodated as iron oxyhydroxides. Part of CaO and the content of SO₃ are allotted within the gypsum structure. Ba, Sr, Th, U and REE are basically controlled by the carbonate fraction, while Cu, Zn, V and Cr are strongly correlated with Al₂O₃.

Keywords: geochemistry, major oxides, Al Kuwifia, Tolmeita

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Authors: Mokdad Sakhri, Youcef Bouhadda

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Thin film chalcopyrite technology is thus nowadays a solid candidate for photovoltaic cells. The currently used window layer for the solar cell Cu(In,Ga)S2 is our interest point in this work. For this purpose, we have performed a first-principles study of structural, electronic and optical properties for both delafossite transparent conductive oxides Cu (In, Ga)O2 and absorbers films Cu(In,Ga)S2. The calculations have been carried out within the local density functional (LDA) and generalized gradient approximations (GGA) combined with the hubbard potential using norm-conserving pseudopotentials and a plane-wave basis with ABINIT code. We have found the energy gap is :1.6, 2.53, 3.6, 3.8 eV for CuInS2, CuGaS2, CuInO2 and CuGaO2 respectively. The results are in good agreement with experimental results.

Keywords: ABINIT code, DFT, electronic and optical properties, solar-cell absorbers, delafossite transparent conductive oxides

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Authors: Brian Yuliarto, Ni Luh Wulan Septiani

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Carbon nanotubes are one of the carbon nanomaterial that very popular in the field of gas sensors. It has unique properties, large surface area and has hollow structure that makes its potentially used as a gas sensor. Several attempts have been made to improve the sensitivity and selectivity of CNTs by modifying CNTs with a noble metals, metal oxides and polymers. From these studies, there are evidents that modification of CNTs with these materials can improve the sensitivity and selectivity of CNTs against some harmful gases. Decorating carbon nano tubes with metal oxides improve CNTs with the highest sensitivity and increased sensitivity of polymer/CNTs is higher than the metal/CNTs. The used of metal in CNTs aims to accelerate the reaction surface and as channel for electrons path from or to the CNTs. The used of metal oxides on CNTs built a p-n junction that can increase sensitivity. While the addition of polymer can increase the charge carriers density in CNTs.

Keywords: carbon nanotubes, gas sensors, modification of CNT, sensitivity

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Authors: Issam Derkaoui, Mohammed Khenfouch, Bakang M. Mothudi, Malik Maaza, Izeddine Zorkani, Anouar Jorio

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Transition metal oxides nanoparticles with different morphologies have attracted a lot of attention recently owning to their distinctive geometries, and demonstrated promising electrical properties for various applications. In this paper, we discuss the time and annealing effects on the structural and electrical properties of vanadium oxides nanoparticles (VO-NPs) prepared by microwave method. In this sense, transmission electron microscopy (TEM), X-ray diffraction (XRD), Raman Spectroscopy, Ultraviolet-visible absorbance spectra (Uv-Vis) and electrical conductivity were investigated. Hence, the annealing state and the time are two crucial parameters for the improvement of the optoelectronic properties. The use of these nanostructures is promising way for the development of technological applications especially for energy storage devices.

Keywords: Vanadium oxide, Microwave, Electrical conductivity, Optoelectronic properties

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Authors: Mohamad Abdelfattah Ibrahim Elghrbawy

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This work deals to evaluate barium sulfate (BS) before and after its surface modification as reinforcing filler for rubber. Barium sulfate was surface-modified using polymethacrylic acid (PMAA), the monolayer surface coverage of barium sulfate by polymethacrylic acid molecules occurred at 5.4x10-6 mol/g adsorbed amount. This amount was sufficient to reduce the sediment volume from 2.65 to 2.55 cm3/gm. Natural rubber (NR) was compounded with different concentrations of barium sulfate. The rheological characteristics of NR mixes were measured using a Monsanto Oscillating Disk Rheometer. The compounded NR was vulcanized at 142°C, and the physico-mechanical properties were tested according to the standard methods. The rheological data show that the minimum torque decreases while the maximum torque increases as the barium sulfate content increase. The physico-mechanical properties of NR vulcanizates were improved up to 50 phr/ barium sulfate loading. On the other hand, styrene–butadiene rubber (SBR) and nitrile–butadiene rubber (NBR) rubbers compounded with 50 phr/barium sulfate had good rheological and mechanical properties. Scanning electron microscope studies show surface homogeneity of rubber samples as a result of good dispersion of surface modified barium sulfate in the rubber matrix. The NR, SBR and NBR vulcanizates keep their values of mechanical properties after subjected to thermal oxidative aging at 90°C for 7 days.

Keywords: barium sulfate, natural rubber (nr), nitrile–butadiene rubber (nbr), polymethacrylic acid (pmaa), styrene–butadiene rubber (sbr), surface modification

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Authors: Koyar Rane

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Nano- to submicron size particles of narrow particle size distribution of semi-conducting TiO₂, ZnO, NiO, CuO, Fe₂O₃ have been synthesized by novel hydrazine method and tested for their gas sensing, photocatalytic and bactericidal activities and the behavior found to be enhanced when the oxides in the thin film forms, that obtained in a specially built spray pyrolysis reactor. Hydrazine method is novel in the sense, say, the UV absorption edge of the white pigment grade wide band gap (~3.2eV) TiO₂ and ZnO shifted to the visible region turning into yellowish particles, indicating modification occurring the band structure. The absorption in the visible region makes these oxides visible light sensitive photocatalysis in degrading pollutants, especially the organic dyes which otherwise increase the chemical oxygen demand of the drinking water, enabling the process feasible not under the harsh energetic UV radiation regime. The electromagnetic radiations on irradiation produce electron-hole pairs Semiconductor + hν → e⁻ + h⁺ The electron-hole pairs thus produced form Reactive Oxygen Species, ROS, on the surface of the semiconductors, O₂(adsorbed)+e⁻ → O₂• - superoxide ion OH-(surface)+h⁺ →•OH - Hydroxyl radical The ROS attack the organic material and micro-organisms. Our antibacterial studies indicate the metal oxides control the Biological Oxygen Demand (BOD) of drinking water which had beyond the safe level normally found in the municipal supply. Metal oxides in the thin film form show overall enhanced properties and the films are reusable. The results of the photodegradation and antibactericidal studies are discussed. Gas sensing studies too have been done to find the versatility of the multifunctional metal oxides.

Keywords: hydrazine method, visible light sensitive, photo-degradation of dyes, water/airborne pollutant

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Authors: Boris Nemzer, Tania Reyes-Izquierdo, Zbigniew Pietrzkowski

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Glucosinolate is a family of glucosides that can be found in a family of brassica vegetables. Upon the damage of the plant, glucosinolate breakdown by an internal enzyme myrosinase (thioglucosidase; EC 3.2.3.1) into isothiocyanates, such as sulforaphane. Sulforaphane is formed by glucoraphanin cleaving the sugar off by myrosinase and rearranged. Sulforaphane nitrile is formed in the same reaction as sulforaphane with the active of epithiospecifier protein (ESP). Most common food processing procedure would break the plant and mix the glucoraphanin and myrosinase together, and the formed sulforaphane would be further degraded. The purpose of this study is to understand the glucoraphanin/sulforaphane and the myrosinase activity of broccoli seeds germinated at a different time and technological processing conditions that keep the activity of the enzyme to form sulforaphane. Broccoli seeds were germinated in the house. Myrosinase activities were tested as the glucose content using glucose assay kit and measured UV-Vis spectrophotometer. Glucosinolates were measured by HPLC/DAD. Sulforaphane was measured using HPLC-DAD and GC/MS. The 6 hr germinated sprouts have a myrosinase activity 32.2 mg glucose/g, which is comparable with 12 and 24 hour germinated seeds and higher than dry seeds. The glucoraphanin content in 6 hour germinated sprouts is 13935 µg/g which is comparable to 24 hour germinated seeds and lower than the dry seeds. GC/MS results show that the amount of sulforaphane is higher than the amount of sulforaphane nitrile in seeds, 6 hour and 24 hour germinated seeds. The ratio of sulforaphane and sulforaphane nitrile is high in 6 hour germinated seeds, which indicates the inactivated ESP in the reaction. After evaluating the results, the short time germinated seeds can be used as the source of glucoraphanin and myrosinase supply to form potential higher sulforaphane content. Broccoli contains glucosinolates, glucoraphanin (4-methylsulfinylbutyl glucosinolate), which is an important metabolite with health-promoting effects. In the pilot clinical study, we observed the effects of a glucosinolates/glucoraphanin-rich extract from short time germinated broccoli seeds on blood adenosine triphosphate (ATP), reactive oxygen species (ROS) and lactate levels. A single dose of 50 mg of broccoli sprouts extract increased blood levels of ATP up to 61% (p=0.0092) during the first 2 hours after the ingestion. Interestingly, this effect was not associated with an increase in blood ROS or lactate. When compared to the placebo group, levels of lactate were reduced by 10% (p=0.006). These results indicate that broccoli germinated seed extract may positively affect the generation of ATP in humans. Due to the preliminary nature of this work and promising results, larger clinical trials are justified.

Keywords: broccoli glucosinolates, glucoraphanin, germinated seeds, myrosinase, adenosine triphosphate

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Authors: Dereje Moges Azbite

Abstract:

Laboratory analysis of igneous rocks is performed with the help of the main oxide plots. The lithology of the two wells was identified using the main oxides obtained using the XRF method. Twenty-four (24) cutting samples with different degrees of alteration were analyzed to determine and identify the rock types by plotting these well samples on special diagrams and correlating with the regional rocks. The results for the analysis of the main oxides and trace elements of 24 samples are presented. Alteration analysis in the two well samples was conducted for 21 samples from two wells for identifying clay minerals. Bulk sample analysis indicated quartz, illite & micas, calcite, cristobalite, smectite, pyrite, epidote, alunite, chlorite, wairakite, diaspore, and kaolin minerals present in both wells. Hydrothermal clay minerals such as illite, chlorite, smectite, and kaoline minerals were identified in both wells by X-ray diffraction.

Keywords: igneous rocks, major oxides, tracer elements, XRF, XRD, alteration minerals

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Authors: A. Guemache, M. Omari

Abstract:

Oxides with formula Ca1-xSrx MnO3 (0≤x≤0.2) were synthesized using co-precipitation method. The identification of the obtained phase was carried out using infrared spectroscopy and X-ray diffraction. Thermogravimetric and differential analysis was permitted to characterize different transformations of precursors which take place during one heating cycle. The study of electrochemical behavior was carried out by cyclic voltammetry and impedance spectroscopy. The obtained results show that apparent catalytic activity improved when increasing the concentration of strontium. Anodic current densities varies from 1.3 to 5.9 mA/cm2 at the rate scan of 20 mV.s-1 and a potential 0.8 V for oxides with composition x=0 to 0.2.

Keywords: oxide, co-precipitation, electrochemical properties, cathode-type

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Authors: P. Joshna, Souvik Kundu

Abstract:

Detection of ultraviolet (UV) radiation is very important as it has exhibited a profound influence on humankind and other existences, including military equipment. In this work, a self-powered UV photodetector was reported based on oxides heterojunctions. The thin films of p-type nickel oxide (NiO) and n-type reduced graphene oxide (rGO) were used for the formation of p-n heterojunction. Low-Cost and low-temperature chemical synthesis was utilized to prepare the oxides, and the spin coating technique was employed to deposit those onto indium doped tin oxide (ITO) coated glass substrates. The top electrode platinum was deposited utilizing physical vapor evaporation technique. NiO offers strong UV absorption with high hole mobility, and rGO prevents the recombination rate by separating electrons out from the photogenerated carriers. Several structural characterizations such as x-ray diffraction, atomic force microscope, scanning electron microscope were used to study the materials crystallinity, microstructures, and surface roughness. On one side, the oxides were found to be polycrystalline in nature, and no secondary phases were present. On the other side, surface roughness was found to be low with no pit holes, which depicts the formation of high-quality oxides thin films. Whereas, x-ray photoelectron spectroscopy was employed to study the chemical compositions and oxidation structures. The electrical characterizations such as current-voltage and current response were also performed on the device to determine the responsivity, detectivity, and external quantum efficiency under dark and UV illumination. This p-n heterojunction device offered faster photoresponse and high on-off ratio under 365 nm UV light illumination of zero bias. The device based on the proposed architecture shows the efficacy of the oxides heterojunction for efficient UV photodetection under zero bias, which opens up a new path towards the development of self-powered photodetector for environment and health monitoring sector.

Keywords: chemical synthesis, oxides, photodetectors, spin coating

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Authors: Chia-Ting Chang, Chia-Yu Lin

Abstract:

We report on the decisive role of iron phosphate (FePO₄), formed in-situ during the electrochemical characterization, played in the electrocatalytic activity, especially its oxygen tolerance of iron oxides towards H₂O₂ reduction. Iron oxides studied including, Nanorod arrays (NRs) of β-FeOOH, γ-Fe₂O₃, α-Fe₂O₃, α-Fe₂O₃ nanosheets (α-Fe₂O₃NS), α-Fe₂O₃ nanoparticles (α-Fe₂O₃NP), were synthesized using chemical bath deposition. The nanostructure was controlled simply by adjusting the composition of precursor solution and reaction duration for CBD process, whereas the crystal phase was controlled by adjusting the annealing temperature. It was found that iron phosphate (FePO₄) was deposited in-situ onto the surface of this nanostructured α-Fe₂O₃ during the electrochemical pretreatment in the phosphate electrolyte, and both FePO₄ and α-Fe₂O₃ showed the activity in catalysing the electrochemical reduction of H₂O₂. In addition, the interaction/compatibility between deposited FePO₄ and iron oxides has a decisive effect on the overall electrocatalytic activity of the resultant electrodes; FePO₄ only showed synergetic effect on the overall electrocatalytic activity of α-Fe₂O₃NR and α-Fe2O₃NS. Both α-Fe₂O₃NR and α-Fe₂O₃NS showed two reduction peaks in phosphate electrolyte containing H₂O₂, one being pH-dependent and related to the electrocatalytic properties of FePO₄, and the other one being pH-independent and only related to the intrinsic electrocatalytic properties of α-Fe₂O₃NR and α-Fe₂O₃NS. However, all iron oxides showed only one pH-independent reductive peak in non-phosphate electrolyte containing H₂O₂. The synergesitic catalysis exerted by FePO₄ with α-Fe₂O₃NR or α-Fe₂O₃NS providing additional oxygen-insensitive active site for H₂O₂ reduction, which allows their applications to electrochemical detection of H₂O₂ without the interference of O₂ involving in oxidase-catalyzed chemical processes.

Keywords: H₂O₂ reduction, Iron oxide, iron phosphate, O₂ tolerance

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Authors: A. Guemache, M. Omari

Abstract:

Oxides with formula Ca1-xSrx MnO3(0≤x≤0.2) were synthesized using co precipitation method. The identification of the obtained phase was carried out using infrared spectroscopy and x-ray diffraction. Thermogravimetric and differential analysis was permitted to characterize different transformations of precursors which take place during one heating cycle. The study of electrochemical behavior was carried out by cyclic voltammetry and impedance spectroscopy. The obtained results show that apparent catalytic activity improved when increasing the concentration of strontium. Anodic current densities varies from 1.3 to 5.9 mA/cm2 at the rate scan of 20 mV.s-1 and a potential 0.8 V for oxides with composition x=0 to 0.2.

Keywords: oxide, co-precipitation, thermal analysis, electrochemical properties

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Authors: Dereje Moges Azbite

Abstract:

Laboratory analysis of igneous rocks is performed with the help of the main oxide plots. The lithology of the two wells was identified using the main oxides obtained using the XRF method. Twenty-four (24) cutting samples with different degrees of alteration were analyzed to determine and identify the rock types by plotting these well samples on special diagrams and correlating with the regional rocks. The results for the analysis of the main oxides and trace elements of 24 samples are presented. Alteration analysis in the two well samples was conducted for 21 samples from two wells for identifying clay minerals. Bulk sample analysis indicated quartz, illite & micas, calcite, cristobalite, smectite, pyrite, epidote, alunite, chlorite, wairakite, diaspore and kaolin minerals present in both wells. Hydrothermal clay minerals such as illite, chlorite, smectite and kaoline minerals were identified in both wells by X-ray diffraction.

Keywords: auto geothermal field, igneous rocks, major oxides, tracer elements, XRF, XRD, alteration minerals

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Authors: Navven Desai, Veena Soraganvi

Abstract:

Heavy metals such as lead, cadmium and mercury do not have biological significance hence they are known to be extremely toxic heavy metals. Water contains various heavy metals like Cadmium (Cd), Chromium (Cr), Copper (Cu), Nickel (Ni), Arsenic (As), Lead (Pb), and Zinc (Zn) etc., when it gets polluted with industrial waste water. These heavy metals cause various health effects even at low concentration when consumed by humans. Most of the heavy metals are poisonous to living organisms. Heavy metals are non-degradable and are preserved in the environment through bioaccumulation. Therefore removal of heavy metals from water is necessary. In recent years, a great deal of attentions has been focused on to the application of nanosized metal oxides to treat heavy metals, especially titanium oxides, ferric oxides, manganese oxides, aluminium oxides and magnesium oxides as adsorbent and photocatalyst. TiO2 based photocatalysts have attracted continuously increasing attention because of the excellent properties such as high light -conversion efficiency, chemical stability, nontoxic nature, low cost. The catalyst displays high photocatalytic activity because of its large surface area. In this study, the photocatalytic degradation of Lead (Pb) from aqueous solution was investigated in natural sunlight by using TiO2 as Nanomaterial. This study was performed at laboratory scale. All the experiments were carried out in the batch process. The concentration of lead was constant (25mg/lit) in the experiment and effect of titanium dioxide dose and pH were varied to study the removal efficiency of the lead by adsorption. Further study was performed on the dependence of photocatalytic reaction on the reaction temperature. The aqueous solution was prepared by Lead metal powder. TiO2 photo catalyst nanopowder used was Sisco-74629 grade. The heavy metal is analyzed with VARIAN AA 240 atomic adsorption spectrophotometer. The study shows, with increasing TiO2 dose and pH the lead removal increases. According to study, it can be concluded that the utilization of titanium dioxide accounted for higher efficiency in the removal of lead from aqueous solution.

Keywords: adsorption, heavy metals, nanomaterial, photocatalysis

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Authors: Ipek Gunay, Efe B. Orman, Metin Ozer, Bekir Salih, Ali R. Ozkaya

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Phthalocyanines with macrocyclic ring containing at least three heteroatoms have nine or more membered structures. Metal-free phthalocyanines react with metal salts to obtain chelate complexes. This is one of the most important features of metal-free phthalocyanine as ligand structure. Although phthalocyanines have very similar properties with porphyrins, they have some advantages such as lower cost, easy to prepare, and chemical and thermal stability. It’s known that Pc compounds have shown one-electron metal-and/or ligand-based reversible or quasi-reversible reduction and oxidation processes. The redox properties of phthalocyanines are critically related to the desirable properties of these compounds in their technological applications. Thus, Pc complexes have also been receiving increasing interest in the area of fuel cells due to their high electrocatalytic activity in dioxygen reduction and fuel cell applications. In this study, novel phthalocyanine complexes coordinated with Fe(II) and Co (II) to be used as catalyst were synthesized. Aiming this goal, a new nitrile ligand was synthesized starting from 4-hydroxy-3,5-dimethoxy benzyl alcohol and 4-nitrophthalonitrile in the presence of K2CO3 as catalyst. After the isolation of the new type of nitrile and metal complexes, the characterization of mentioned compounds was achieved by IR, H-NMR and UV-vis methods. In addition, the electrochemical behaviour of Pc complexes was identified by cyclic voltammetry, square wave voltammetry and in situ spectroelectrochemical measurements. Furthermore, the catalytic performances of Pc complexes for oxygen reduction were tested by dynamic voltammetry measurements, carried out by the combined system of rotating ring-disk electrode and potentiostat, in a medium similar to fuel-cell working conditions.

Keywords: phthalocyanine, electrocatalysis, electrochemistry, in-situ spectroelectrochemistry

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Authors: Marie Kudrnová, Jana Rejková

Abstract:

The samples of supplied INCONEL 601, 617, 625, and HASTELLOY C-22 alloys and experimental nickel alloy MoNiCr were examined by XPS (X-ray photoelectron spectroscopy) before and after exposure. The experiment was performed in a mixture of LiCl-KCl salt (58.2-41.8 wt. %). The exposure conditions were 440°C, pressure 0.2 MPa, 500 hours in an inert argon atmosphere. The XPS analysis shows that a thin oxide layer composed of metal oxides such as NiO, Cr₂O₃, and Nb₂O₅ was formed. After sputtering the exposed surface with Ar ions, metals were also detected in the elemental state, indicating a very thin protective oxide layer with a thickness in units of up to tens of nanometers.

Keywords: XPS, MSR, nickel alloy, metal oxides

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Authors: Saleem Rao, Mohammed Al-Ghadeer, Archan Banerjee, Hossein Fariborzi

Abstract:

Materials imperfection, particularly two-level-system (TLS) defects in planer superconducting quantum circuits, contributes significantly to decoherence, ultimately limiting the performance of quantum computation and sensing. Oxides at air interfaces are among the host of TLS, and different material has been used to reduce TLS losses. Passivation with an inorganic layer is not an option to reduce these interface oxides; however, they can be etched away, but their regrowth remains a problem. Here, we report the chemisorption of molecular self-assembled monolayers (SAMs) at air interfaces of superconducting co-planer waveguide (CPW) resonators that suppress the regrowth of oxides and also modify the dielectric constant of the interface. With SAMs, we observed sustained order of magnitude improvement in quality factor -better than oxide etched interfaces. Quality factor measurements at millikelvin temperature and at single photon, XPS data, and TEM images of SAM passivated air interface sustenance our claim. Compatibility of SAM with micro-/nano-fabrication processes opens new ways to improve the coherence time in cQED.

Keywords: superconducting circuits, quality-factor, self-assembled monolayer, coherence

Procedia PDF Downloads 82

Authors: I. Yordanova, H. Kolev, S. Todorova, Z. Cherkezova-Zheleva

Abstract:

Catalysis plays a key role in solving many environmental problems by establishing efficient catalytic systems for environmental protection and reducing emissions of greenhouse gases from industry. Volatile organic compounds are major air pollutants. There are several ways to dispose of emissions like - adsorption, condensation, absorption, bio-filtration, thermal, catalytic, plasma and ultraviolet oxidation. The catalytic oxidation has more advantages over other methods. For example - lower energy consumption; the concentration of the organic contaminant may be low or may vary within wide limits. Catalysts for complete oxidation of VOCs can be classified into three categories: noble metal, metal oxides or supported metal oxides and mixture of noble metals and metal oxides. Most of the catalysts for the complete catalytic oxidation are based on Pt, Pd, Rh or a combination thereof. The oxides of the transition metal are one of the alternatives to noble metal catalysts for these reactions. They are less active at low temperatures, but at higher - their activity is similar. The properties of the catalyst depend on the distribution of the active phase, the medium type of the pre-treatment, the interaction between the active phase and the support and the interaction between the active phase and the reaction medium. Supported mono-component Mn and bi-component Mn-Co systems are examined in present study. The samples are prepared using co-precipitation method. SiO2 (Aerosil) is used as a support. The studied samples were precipitated by NH4OH. The synthesized samples were characterized by XRD, XPS, TPR and tested in the catalytic reaction of complete oxidation of n-hexane, propane, methanol, ethanol and propanol.

Keywords: catalytic oxidation, Co-Mn oxide, oxidation of hydrocarbons and alcohols, environmental protection

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Authors: Avinash Vellore Sunder, Shikha Shah, Pramod P. Wangikar

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The enzymatic conversion of nitriles to carboxylic acids by nitrilases has gained significance in the green synthesis of several pharmaceutical precursors and fine chemicals. While nitrilases have been characterized from different sources, the industrial application requires the identification of nitrilases that possess higher substrate tolerance, wider specificity and better thermostability, along with the development of an efficient bioprocess for producing large amounts of nitrilase. To produce large amounts of nitrilase, we developed a fed-batch fermentation process on defined media for the high cell density cultivation of E. coli cells expressing the well-studied nitrilase from Alcaligenes fecalis. A DO-stat feeding approach was employed combined with an optimized post-induction strategy to achieve nitrilase titer of 2.5*105 U/l and 78 g/l dry cell weight. We also identified 16 novel nitrilase sequences from genome mining and analysis of substrate binding residues. The nitrilases were expressed in E. coli and their biocatalytic potential was evaluated on a panel of 22 industrially relevant nitrile substrates using high-throughput screening and HPLC analysis. Nine nitrilases were identified to exhibit high activity on structurally diverse nitriles including aliphatic and aromatic dinitriles, heterocyclic, -hydroxy and -keto nitriles. With fed-batch biotransformation, whole-cell Zobelia galactanivorans nitrilase achieved yields of 2.4 M nicotinic acid and 1.8 M isonicotinic acid from 3-cyanopyridine and 4-cyanopyridine respectively within 5 h, while Cupravidus necator nitrilase enantioselectively converted 740 mM mandelonitrile to (R)–mandelic acid. The nitrilase from Achromobacter insolitus could hydrolyze 542 mM iminodiacetonitrile in 1 h. The availability of highly active nitrilases along with bioprocesses for enzyme production expands the toolbox for industrial biocatalysis.

Keywords: biocatalysis, isonicotinic acid, iminodiacetic acid, mandelic acid, nitrilase

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Authors: Vera Varazashvili, Murman Tsarakhov, Tamar Mirianashvili, Teimuraz Pavlenishvili, Tengiz Machaladze, Mzia Khundadze

Abstract:

Standard Gibbs energy of formation ΔGfor(298.15) of lanthanide-iron double oxides of garnet-type crystal structure R3Fe5O12 - RIG (R – are rare earth ions) from initial oxides are evaluated. The calculation is based on the data of standard entropies S298.15 and standard enthalpies ΔH298.15 of formation of compounds which are involved in the process of garnets synthesis. Gibbs energy of formation is presented as temperature function ΔGfor(T) for the range 300-1600K. The necessary starting thermodynamic data were obtained from calorimetric study of heat capacity – temperature functions and by using the semi-empirical method for calculation of ΔH298.15 of formation. Thermodynamic functions for standard temperature – enthalpy, entropy and Gibbs energy - are recommended as reference data for technological evaluations. Through the isostructural series of rare earth-iron garnets the correlation between thermodynamic properties and characteristics of lanthanide ions are elucidated.

Keywords: calorimetry, entropy, enthalpy, heat capacity, gibbs energy of formation, rare earth iron garnets

Procedia PDF Downloads 382