Search results for: 3D transition metal complex
8417 Theoretical Insight into Ligand Free Manganese Catalyzed C-O Coupling Protocol for the Synthesis of Biaryl Ethers
Authors: Carolin Anna Joy, Rohith K. R, Rehin Sulay, Parvathy Santhoshkumar, G.Anil Kumar, Vibin Ipe Thomas
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Ullmann coupling reactions are gaining great relevance owing to their contribution in the synthesis of biologically and pharmaceutically important compounds. Palladium and many other heavy metals have proven their excellent ability in coupling reaction, but the toxicity matters. The first-row transition metal also possess toxicity, except in the case of iron and manganese. The suitability of manganese as a catalyst is achieving great interest in oxidation, reduction, C-H activation, coupling reaction etc. In this presentation, we discuss the thermo chemistry of ligand free manganese catalyzed C-O coupling reaction between phenol and aryl halide for the synthesis of biaryl ethers using Density functional theory techniques. The mechanism involves an oxidative addition-reductive elimination step. The transition state for both the step had been studied and confirmed using Intrinsic Reaction Coordinate (IRC) calculation. The barrier height for the reaction had also been calculated from the rate determining step. The possibility of other mechanistic way had also been studied. To achieve further insight into the mechanism, substrate having various functional groups is considered in our study to direct their effect on the feasibility of the reaction.Keywords: Density functional theory, Molecular Modeling, ligand free, biaryl ethers, Ullmann coupling
Procedia PDF Downloads 1388416 Manufacturing of Vacuum Glazing with Metal Edge Seal
Authors: Won Kyeong Kang, Tae-Ho Song
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Vacuum glazing (VG) is a super insulator, which is able to greatly improve the energy efficiency of building. However, a significant amount of heat loss occurs through the welded edge of conventional VG. The joining method should be improved for further application and commercialization. For this purpose VG with metal edge seal is conceived. In this paper, the feasibility of joining stainless steel and soda lime glass using glass solder is assessed numerically and experimentally. In the case of very thin stainless steel, partial joining with glass is identified, which need further improvement for practical application.Keywords: VG, metal edge seal, vacuum glazing, manufacturing,
Procedia PDF Downloads 6018415 Dielectric Thickness Modulation Based Optically Transparent Leaky Wave Antenna Design
Authors: Waqar Ali Khan
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A leaky-wave antenna design is proposed which is based on the realization of a certain kind of surface impedance profile that allows the existence of a perturbed surface wave (fast wave) that radiates. The antenna is realized by using optically transparent material Plexiglas. Plexiglas behaves as a dielectric at radio frequencies and is transparent at optical frequencies. In order to have a ground plane for the microwave frequencies, metal strips are used parallel to the E field of the operating mode. The microwave wavelength chosen is large enough such that it does not resolve the metal strip ground plane and sees it to be a uniform ground plane. While, at optical frequencies, the metal strips do have some shadowing effect. However still, about 62% of optical power can be transmitted through the antenna.Keywords: Plexiglass, surface-wave, optically transparent, metal strip
Procedia PDF Downloads 1358414 Characterizing Solid Glass in Bending, Torsion and Tension: High-Temperature Dynamic Mechanical Analysis up to 950 °C
Authors: Matthias Walluch, José Alberto Rodríguez, Christopher Giehl, Gunther Arnold, Daniela Ehgartner
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Dynamic mechanical analysis (DMA) is a powerful method to characterize viscoelastic properties and phase transitions for a wide range of materials. It is often used to characterize polymers and their temperature-dependent behavior, including thermal transitions like the glass transition temperature Tg, via determination of storage and loss moduli in tension (Young’s modulus, E) and shear or torsion (shear modulus, G) or other testing modes. While production and application temperatures for polymers are often limited to several hundred degrees, material properties of glasses usually require characterization at temperatures exceeding 600 °C. This contribution highlights a high temperature setup for rotational and oscillatory rheometry as well as for DMA in different modes. The implemented standard convection oven enables the characterization of glass in different loading modes at temperatures up to 950 °C. Three-point bending, tension and torsional measurements on different glasses, with E and G moduli as a function of frequency and temperature, are presented. Additional tests include superimposing several frequencies in a single temperature sweep (“multiwave”). This type of test results in a considerable reduction of the experiment time and allows to evaluate structural changes of the material and their frequency dependence. Furthermore, DMA in torsion and tension was performed to determine the complex Poisson’s ratio as a function of frequency and temperature within a single test definition. Tests were performed in a frequency range from 0.1 to 10 Hz and temperatures up to the glass transition. While variations in the frequency did not reveal significant changes of the complex Poisson’s ratio of the glass, a monotonic increase of this parameter was observed when increasing the temperature. This contribution outlines the possibilities of DMA in bending, tension and torsion for an extended temperature range. It allows the precise mechanical characterization of material behavior from room temperature up to the glass transition and the softening temperature interval. Compared to other thermo-analytical methods, like Dynamic Scanning Calorimetry (DSC) where mechanical stress is neglected, the frequency-dependence links measurement results (e.g. relaxation times) to real applicationsKeywords: dynamic mechanical analysis, oscillatory rheometry, Poisson's ratio, solid glass, viscoelasticity
Procedia PDF Downloads 758413 Tailoring Structural, Thermal and Luminescent Properties of Solid-State MIL-53(Al) MOF via Fe³⁺ Cation Exchange
Authors: T. Ul Rehman, S. Agnello, F. M. Gelardi, M. M. Calvino, G. Lazzara, G. Buscarino, M. Cannas
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Metal-Organic Frameworks (MOFs) have emerged as promising candidates for detecting metal ions owing to their large surface area, customizable porosity, and diverse functionalities. In recent years, there has been a surge in research focused on MOFs with luminescent properties. These frameworks are constructed through coordinated bonding between metal ions and multi-dentate ligands, resulting in inherent fluorescent structures. Their luminescent behavior is influenced by factors like structural composition, surface morphology, pore volume, and interactions with target analytes, particularly metal ions. MOFs exhibit various sensing mechanisms, including photo-induced electron transfer (PET) and charge transfer processes such as ligand-to-metal (LMCT) and metal-to-ligand (MLCT) transitions. Among these, MIL-53(Al) stands out due to its flexibility, stability, and specific affinity towards certain metal ions, making it a promising platform for selective metal ion sensing. This study investigates the structural, thermal, and luminescent properties of MIL-53(Al) metal-organic framework (MOF) upon Fe3+ cation exchange. Two separate sets of samples were prepared to activate the MOF powder at different temperatures. The first set of samples, referred to as MIL-53(Al), activated (120°C), was prepared by activating the raw powder in a glass tube at 120°C for 12 hours and then sealing it. The second set of samples, referred to as MIL-53(Al), activated (300°C), was prepared by activating the MIL-53(Al) powder in a glass tube at 300°C for 70 hours. Additionally, 25 mg of MIL-53(Al) powder was dispersed in 5 mL of Fe3+ solution at various concentrations (0.1-100 mM) for the cation exchange experiment. The suspension was centrifuged for five minutes at 10,000 rpm to extract MIL-53(Al) powder. After three rounds of washing with ultrapure water, MIL-53(Al) powder was heated at 120°C for 12 hours. For PXRD and TGA analyses, a sample of the obtained MIL-53(Al) was used. We also activated the cation-exchanged samples for time-resolved photoluminescence (TRPL) measurements at two distinct temperatures (120 and 300°C) for comparative analysis. Powder X-ray diffraction patterns reveal amorphization in samples with higher Fe3+ concentrations, attributed to alterations in coordination environments and ion exchange dynamics. Thermal decomposition analysis shows reduced weight loss in Fe3+-exchanged MOFs, indicating enhanced stability due to stronger metal-ligand bonds and altered decomposition pathways. Raman spectroscopy demonstrates intensity decrease, shape disruption, and frequency shifts, indicative of structural perturbations induced by cation exchange. Photoluminescence spectra exhibit ligand-based emission (π-π* or n-π*) and ligand-to-metal charge transfer (LMCT), influenced by activation temperature and Fe3+ incorporation. Quenching of luminescence intensity and shorter lifetimes upon Fe3+ exchange result from structural distortions and Fe3+ binding to organic linkers. In a nutshell, this research underscores the complex interplay between composition, structure, and properties in MOFs, offering insights into their potential for diverse applications in catalysis, gas storage, and luminescent devices.Keywords: Fe³⁺ cation exchange, luminescent metal-organic frameworks (LMOFs), MIL-53(Al), solid-state analysis
Procedia PDF Downloads 588412 Theoretical Study of the Structural and Elastic Properties of Semiconducting Rare Earth Chalcogenide Sm1-XEuXS under Pressure
Authors: R. Dubey, M. Sarwan, S. Singh
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We have investigated the phase transition pressure and associated volume collapse in Sm1– X EuX S alloy (0≤x≤1) which shows transition from discontinuous to continuous as x is reduced. The calculated results from present approach are in good agreement with experimental data available for the end point members (x=0 and x=1). The results for the alloy counter parts are also in fair agreement with experimental data generated from the vegard’s law. An improved interaction potential model has been developed which includes coulomb, three body interaction, polarizability effect and overlap repulsive interaction operative up to second neighbor ions. It is found that the inclusion of polarizability effect has improved our results.Keywords: elastic constants, high pressure, phase transition, rare earth compound
Procedia PDF Downloads 4128411 Automated, Short Cycle Production of Polymer Composite Applications with Special Regards to the Complexity and Recyclability of Composite Elements
Authors: Peter Pomlenyi, Orsolya Semperger, Gergely Hegedus
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The purpose of the project is to develop a complex composite component with visible class ‘A’ surface. It is going to integrate more functions, including continuous fiber reinforcement, foam core, injection molded ribs, and metal inserts. Therefore we are going to produce recyclable structural composite part from thermoplastic polymer in serial production with short cycle time for automotive applications. Our design of the process line is determined by the principles of Industry 4.0. Accordingly, our goal is to map in details the properties of the final product including the mechanical properties in order to replace metal elements used in automotive industry, with special regard to the effect of each manufacturing process step on the afore mentioned properties. Period of the project is 3 years, which lasts from the 1st of December 2016 to the 30th November 2019. There are four consortium members in the R&D project evopro systems engineering Ltd., Department of Polymer Engineering of the Budapest University of Technology and Economics, Research Centre for Natural Sciences of Hungarian Academy of Sciences and eCon Engineering Ltd. One of the most important result that we can obtain short cycle time (up to 2-3 min) with in-situ polymerization method, which is an innovation in the field of thermoplastic composite production. Because of the mentioned method, our fully automated production line is able to manufacture complex thermoplastic composite parts and satisfies the short cycle time required by the automotive industry. In addition to the innovative technology, we are able to design, analyze complex composite parts with finite element method, and validate our results. We are continuously collecting all the information, knowledge and experience to improve our technology and obtain even more accurate results with respect to the quality and complexity of the composite parts, the cycle time of the production, and the design and analyzing method of the composite parts.Keywords: T-RTM technology, composite, automotive, class A surface
Procedia PDF Downloads 1358410 Optical Characterization of Transition Metal Ion Doped ZnO Microspheres Synthesized via Laser Ablation in Air
Authors: Parvathy Anitha, Nilesh J. Vasa, M. S. Ramachandra Rao
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ZnO is a semiconducting material with a direct wide band gap of 3.37 eV and a large exciton binding energy of 60 meV at room temperature. Microspheres with high sphericity and symmetry exhibit unique functionalities which makes them excellent omnidirectional optical resonators. Hence there is an advent interest in fabrication of single crystalline semiconductor microspheres especially magnetic ZnO microspheres, as ZnO is a promising material for semiconductor device applications. Also, ZnO is non-toxic and biocompatible, implying it is a potential material for biomedical applications. Room temperature Photoluminescence (PL) spectra of the fabricated ZnO microspheres were measured, at an excitation wavelength of 325 nm. The ultraviolet (UV) luminescence observed is attributed to the room-temperature free exciton related near-band-edge (NBE) emission in ZnO. Besides the NBE luminescence, weak and broad visible luminescence (~560nm) was also observed. This broad emission band in the visible range is associated with oxygen vacancies related to structural defects. In transition metal (TM) ion-doped ZnO, 3d levels emissions of TM ions will modify the inherent characteristic emissions of ZnO. A micron-sized ZnO crystal has generally a wurtzite structure with a natural hexagonal cross section, which will serve as a WGM (whispering gallery mode) lasing micro cavity due to its high refractive index (~2.2). But hexagonal cavities suffers more optical loss at their corners in comparison to spherical structures; hence spheres may be a better candidate to achieve effective light confinement. In our study, highly smooth spherical shaped micro particles with different diameters ranging from ~4 to 6 μm were grown on different substrates. SEM (Scanning Electron Microscopy) and AFM (Atomic Force Microscopy) images show the presence of uniform smooth surfaced spheres. Raman scattering measurements from the fabricated samples at 488 nm light excitation provide convincing supports for the wurtzite structure of the prepared ZnO microspheres. WGM lasing studies from TM-doped ZnO microparticles are in progress.Keywords: laser ablation, microcavity, photoluminescence, ZnO microsphere
Procedia PDF Downloads 2128409 Effect of Co Substitution on Structural, Magnetocaloric, Magnetic, and Electrical Properties of Sm0.6Sr0.4CoxMn1-xO3 Synthesized by Sol-gel Method
Authors: A. A. Azab
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In this work, Sm0.6Sr0.4CoxMn1-xO3 (x=0, 0.1, 0.2 and 0.3) was synthesized by sol-gel method for magnetocaloric effect (MCE) applications. XRD analysis confirmed formation of the required orthorhombic phase of perovskite, and there is crystallographic phase transition as a result of substitution. Maxwell-Wagner interfacial polarisation and Koops phenomenological theory were used to investigate and analyze the temperature and frequency dependency of the dielectric permittivity. The phase transition from the ferromagnetic to the paramagnetic state was demonstrated to be second order. Based on the isothermal magnetization curves obtained at various temperatures, the magnetic entropy change was calculated. A magnetocaloric effect (MCE) over a wide temperature range was studied by determining DSM and the relative cooling power (RCP).Keywords: magnetocaloric effect, pperovskite, magnetic phase transition, dielectric permittivity
Procedia PDF Downloads 618408 Development of 90y-Chitosan Complex for Radiosynovectomy
Authors: A. Mirzaei, S. Zolghadri, M. Athari-Allaf, H. Yousefnia, A. R. Jalilian
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Rheumatoid arthritis is the most common autoimmune disease, leading to the destruction of the joints. The aim of this study was the preparation of 90Y-chitosan complex as a novel agent for radiosynovectomy. The complex was prepared in the diluted acetic acid solution. At the optimized condition, the radiochemical purity of higher than 99% was obtained by ITLC method on Whatman No. 1 and by using a mixture of methanol/water/acetic acid (4:4:2) as the mobile phase. The complex was stable in acidic media (pH=3) and its radiochemical purity was above 98% even after 48 hours. The biodistribution data in rats showed that there was no significant leakage of the injected activity even after 48 h. Considering all of the excellent features of the complex, 90Y-chitosan can be used to manipulate synovial inflammation effectively.Keywords: chitosan, Y-90, radiosynovectomy, biodistribution
Procedia PDF Downloads 4778407 Competitive Coordination Strategy Towards Reversible Hybrid Hetero-Homogeneous Oxygen-Evolving Catalyst
Authors: Peikun Zhang, Chunhua Cui
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Photoelectrochemical (PEC) water splitting provides a promising pathway to convert solar energy into renewable fuels. However, the main and seemingly insurmountable obstacle is that the sluggish kinetics of oxygen evolution reaction (OER) severely jeopardizes the overall efficiency, thus exploring highly active, stable, and appreciable catalysts is urgently requested. Herein a competitive coordination strategy was demonstrated to form a reversible hybrid homo-heterogeneous catalyst for efficient OER in alkaline media. The dynamic process involves an in-situ anchoring of soluble nickel–bipyridine pre-catalyst to a conductive substrate under OER and a re-dissolution course under open circuit potential, induced by the competitive coordination between nickel–bipyridine and nickel-hydroxyls. This catalyst allows to elaborately self-modulate a charge-transfer layer thickness upon the catalytic on-off operation, which affords substantially increased active sites, yet remains light transparency, and sustains the stability of over 200 hours of continuous operation. The integration of this catalyst with exemplified state-of-the-art Ni-sputtered Si photoanode can facilitate a ~250 mV cathodic shift at a current density of 20 mA cm-2. This finding helps the understanding of catalyst from a “dynamic” perspective, which represents a viable alternative to address remaining hurdles toward solar-driven water oxidation.Keywords: molecular catalyst, oxygen evolution reaction, solar energy, transition metal complex, water splitting
Procedia PDF Downloads 1138406 Self-Assembly of TaC@Ta Core-Shell-Like Nanocomposite Film via Solid-State Dewetting: Toward Superior Wear and Corrosion Resistance
Authors: Ping Ren, Mao Wen, Kan Zhang, Weitao Zheng
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The improvement of comprehensive properties including hardness, toughness, wear, and corrosion resistance in the transition metal carbides/nitrides TMCN films, especially avoiding the trade-off between hardness and toughness, is strongly required to adapt to various applications. Although incorporating ductile metal DM phase into the TMCN via thermally-induced phase separation has been emerged as an effective approach to toughen TMCN-based films, the DM is just limited to some soft ductile metal (i.e. Cu, Ag, Au immiscibility with the TMCN. Moreover, hardness is highly sensitive to soft DM content and can be significantly worsened. Hence, a novel preparation method should be attempted to broaden the DM selection and assemble much more ordered nanocomposite structure for improving the comprehensive properties. Here, we provide a new strategy, by activating solid-state dewetting during layered deposition, to accomplish the self-assembly of ordered TaC@Ta core-shell-like nanocomposite film consisting of TaC nanocrystalline encapsulated with thin pseudocrystal Ta tissue. That results in the superhard (~45.1 GPa) dominated by Orowan strengthening mechanism and high toughness attributed to indenter-induced phase transformation from the pseudocrystal to body-centered cubic Ta, together with the drastically enhanced wear and corrosion resistance. Furthermore, very thin pseudocrystal Ta encapsulated layer (~1.5 nm) in the TaC@Ta core-shell-like structure helps for promoting the formation of lubricious TaOₓ Magnéli phase during sliding, thereby further dropping the coefficient of friction. Apparently, solid-state dewetting may provide a new route to construct ordered TMC(N)@TM core-shell-like nanocomposite capable of combining superhard, high toughness, low friction, superior wear with corrosion resistance.Keywords: corrosion, nanocomposite film, solid-state dewetting, tribology
Procedia PDF Downloads 1318405 Novel Routes to the Synthesis and Functionalization of Metallic and Semiconductor Thin Film and Nanoparticles
Authors: Hanan. Al Chaghouri, Mohammad Azad Malik, P. John Thomas, Paul O’Brien
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The process of assembling metal nanoparticles at the interface of two liquids has received a great deal of attention over the past few years due to a wide range of important applications and their unusual properties as compared to bulk materials. We present a low cost, simple and cheap synthesis of metal nanoparticles, core/shell structures and semiconductors followed by assembly of these particles between immiscible liquids. The aim of this talk is divided to three parts: Firstly, to describe the achievement of a closed loop recycling for producing cadmium sulfide as powders and/or nanostructured thin films for solar cells or other optoelectronic devices applications by using a different chain length of commercially available secondary amines of dithiocarbamato complexes. The approach can be extended to other metal sulfides such as those of Zn, Pb, Cu, or Fe and many transition metals and oxides. Secondly, to synthesis significantly cheaper magnetic particles suited for the mass market. Ni/NiO nanoparticles with ferromagnetic properties at room temperature were among the smallest and strongest magnets (5 nm) were made in solution. The applications of this work can be to produce viable storage devices and the other possibility is to disperse these nanocrystals in solution and use it to make ferrofluids which have a number of mature applications. The third part is about preparing and assembling of submicron silver, cobalt and nickel particles by using polyol methods and liquid/liquid interface, respectively. Coinage metals like gold, copper and silver are suitable for plasmonic thin film solar cells because of their low resistivity and strong interactions with visible light waves. Silver is the best choice for solar cell application since it has low absorption losses and high radiative efficiency compared to gold and copper. Assembled cobalt and nickel as films are promising for spintronic, magnetic and magneto-electronic and biomedics.Keywords: metal nanoparticles, core/shell structures and semiconductors, ferromagnetic properties, closed loop recycling, liquid/liquid interface
Procedia PDF Downloads 4578404 The Mask of Motherhood a Changing Identity During the Transition to Motherhood
Authors: Geraldine Mc Loughlin, Mary Horgan, Rosaleen Murphy
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Childbirth is a life-changing event, a psychological transition for the mother that must be viewed in a social context. Much has been written and documented regarding the preparation for birth and the immediate postnatal period, but the full psychological impact on the mother is not clear. One aspect of the transition process is Identity. Depending on a person’s worldview, the concept of identity is viewed differently; the nature of reality and how they construct knowledge influence these perspectives. Becoming a mother is not just an event but a process that time and experience will help to shape the understanding of the woman. To explore the emotional and psychological aspects of first-time mother’s experience during the transition to new motherhood. To identify factors affecting women’s identities in the period of 36 weeks gestation to 12 weeks postpartum. Interpretative Phenomenological Analysis (IPA) was used. It explores how these women make sense of and give meaning to their experiences. IPA is underpinned by 3 key principles: phenomenology, hermeneutics and idiographics. A purposeful sample of 10 women was recruited for this longitudinal study, to enable data to be collected during the transition to motherhood. Individual identity was interpreted and viewed as developing in response to changing contexts, such as the birth event becoming a parent, enabling one to construct one’s own sense of a meaningful life. Women effectively differentiated themselves from their personal and social identities and took responsibility for their actions. Identity is culturally and socially shaped and experienced, though not experienced similarly by all women. The individualized perspective on identity recognizes that (a) social influences are seen as external to the individual and (b) the view that social influences are, in fact, internalized by the individual.Keywords: motherhood, transition, identity, IPA
Procedia PDF Downloads 488403 Nanostructured Transition Metal Oxides Doped Graphene for High Performance Solid-State Supercapacitor Electrodes
Authors: G. Nyongombe, Guy L. Kabongo, B. M. Mothudi, M. S. Dhlamini
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A series of Transition Metals Oxides (TMOs) doped graphene were synthesized and successfully used as supercapacitor electrode materials. The as-synthesized materials exhibited exceptional electrochemical properties owing to the combined properties of its constituents; high surface area and good conductivity were achieved. Several analytical characterization techniques were employed to investigate the morphology, crystal structure atomic arrangement and elemental chemical state in the materials for which scanning electron microscopy (SEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) were conducted, respectively. Moreover, the electrochemical properties of the as-synthesized materials were examined by performing cyclic voltammetry (CV), galvanostatic charge-discharge (GCD) and electrochemical impedance spectroscopy (EIS) measurements. Furthermore, the effect of doping concentration on the interlayer distance of the graphene materials and the charge transfer resistance are investigated and correlated to the exceptional current density which was multiplied by a factor of ~80 after TMOs doping in graphene. Finally, the resulting high capacitance obtained confirms the contribution of grapheme exceptional electronic conductivity and large surface area on the electrode materials. Such good-performing electrode materials are highly promising for supercapacitors and other energy storage devices.Keywords: energy density, graphene, supercapacitors, TMOs
Procedia PDF Downloads 2478402 Carbon Dioxide Hydrogenation to Methanol over Cu/ZnO-SBA-15 Catalyst: Effect of Metal Loading
Authors: S. F. H. Tasfy, N. A. M. Zabidi, M.-S. Shaharun
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Utilization of CO2 as a carbon source to produce valuable chemicals is one of the important ways to reduce the global warming caused by increasing CO2 in the atmosphere. Supported metal catalysts are crucial for the production of clean and renewable fuels and chemicals from the stable CO2 molecules. The catalytic conversion of CO2 into methanol is recently under increased scrutiny as an opportunity to be used as a low-cost carbon source. Therefore, series of the bimetallic Cu/ZnO-based catalyst supported by SBA-15 were synthesized via impregnation technique with different total metal loading and tested in the catalytic hydrogenation of CO2 to methanol. The morphological and textural properties of the synthesized catalysts were determined by transmission electron microscopy (TEM), temperature programmed desorption, reduction, oxidation and pulse chemisorption (TPDRO), and N2-adsorption. The CO2 hydrogenation reaction was performed in microactivity fixed-bed system at 250 °C, 2.25 MPa, and H2/CO2 ratio of 3. Experimental results showed that the catalytic structure and performance was strongly affected by the loading of the active site. Where, the catalytic activity, methanol selectivity as well as the space-time yield increased with increasing the metal loading until it reaches the maximum values at a metal loading of 15 wt% while further addition of metal inhibits the catalytic performance. The higher catalytic activity of 14 % and methanol selectivity of 92 % were obtained over Cu/ZnO-SBA-15 catalyst with total bimetallic loading of 15 wt%. The excellent performance of 15 wt% Cu/ZnO-SBA-15 catalyst is attributed to the presence of well disperses active sites with small particle size, higher Cu surface area, and lower catalytic reducibility.Keywords: hydrogenation of carbon dioxide, methanol synthesis, metal loading, Cu/ZnO-SBA-15 catalyst
Procedia PDF Downloads 2238401 Determination of Heavy Metal Concentration in Soil from Flood Affected Area
Authors: Nor Sayzwani Sukri, Siti Hajar Ya’acob, Musfiroh Jani, Farah Khaliz Kedri, Noor Syuhadah Subki, Zulhazman Hamzah
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In mid-December 2014, the biggest flood event occurred in East Coast of Peninsular Malaysia especially at Dabong area, Kelantan. As a consequent of flood disaster, the heavy metals concentration in soil may changes and become harmful to the environment due to the pollution that deposited in soil. This study was carried out to determine the heavy metal concentration from flood affected area. Sample have been collected and analysed by using Atomic Absorption Spectroscopy (AAS). Lead (Pb), Cadmium (Cd), Mercury (Hg), and Arsenic (As) were chosen for the heavy metals concentration. The result indicated that the heavy metal concentration did not exceed the limit. In-situ parameters also were carried out, were the results showed the range of soil pH (6.5-6.8), temperature (25°C – 26.5°C), and moisture content (1-2), respectively. The results from this study can be used as a base data to improve the soil quality and for consideration of future land use activities.Keywords: flood, soil, heavy metal, AAS
Procedia PDF Downloads 4148400 Heavy Metal Pollution of the Soils around the Mining Area near Shamlugh Town (Armenia) and Related Risks to the Environment
Authors: G. A. Gevorgyan, K. A. Ghazaryan, T. H. Derdzyan
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The heavy metal pollution of the soils around the mining area near Shamlugh town and related risks to human health were assessed. The investigations showed that the soils were polluted with heavy metals that can be ranked by anthropogenic pollution degree as follows: Cu>Pb>As>Co>Ni>Zn. The main sources of the anthropogenic metal pollution of the soils were the copper mining area near Shamlugh town, the Chochkan tailings storage facility and the trucks transferring are from the mining area. Copper pollution degree in some observation sites was unallowable for agricultural production. The total non-carcinogenic chronic hazard index (THI) values in some places, including observation sites in Shamlugh town, were above the safe level (THI<1) for children living in this territory. Although the highest heavy metal enrichment degree in the soils was registered in case of copper, the highest health risks to humans especially children were posed by cobalt which is explained by the fact that heavy metals have different toxicity levels and penetration characteristics.Keywords: Armenia, copper mine, heavy metal pollution of soil, health risks
Procedia PDF Downloads 4108399 Magnetodielectric Studies of Substituted La₂NiMnO₆ Double Perovskites
Authors: Pravin M. Tirmali, Sagar M. Mane, Snehal L. Kadam, Shriniwas B. Kulkarni
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The La₂NiMnO₆ has been extensively studied for its ferromagnetic and magneto-dielectric properties. The La₂NiMnO₆ double perovskite is modified by partial substitution at B site by Fe transition metal. The La₂Ni₁₋ₓFeₓMnO₆ powder samples were synthesized by hydroxide co-precipitation method. The precipitate was dried and fine griended to form powder and pellet samples (2cm dia.) using hydraulic press. The powder and pellet samples of La₂Ni₁₋ₓFeₓMnO₆ were calcined at high temperature 1200°C to form a pure and stable composition. The nano polar regions (NPR) around Ni²⁺ or Mn⁴⁺ ions due to the cationic antisite disorder gives dielectric relaxation through their mutual interaction. The magneto-dielectric behavior is observed in substituted La₂NiMnO₆ shows Maxwell-Wagner and Debye relaxation due to grain boundary, interface and antisite defects. The magneto-dielectric properties of substituted La₂NiMnO₆ pellet sample were probed by Impedance spectroscopy measurements. The structural and magnetic investigations were also carried out by XRD, FESEM and VSM measurements of substituted La₂NiMnO₆ of powder samples. The synthesized La₂Ni₁₋ₓFeₓMnO₆ powder samples are polycrystalline and ferromagnetic in nature. The La₂Ni₁₋ₓFeₓMnO₆ samples exhibit ferromagnetic disorder with transition temperature near room temperature.Keywords: La₂NiMnO₆, nano polar regions (NPR), antisite defects, magnetodielctric
Procedia PDF Downloads 1988398 Generation of Catalytic Films of Zeolite Y and ZSM-5 on FeCrAlloy Metal
Authors: Rana Th. A. Al-Rubaye, Arthur A. Garforth
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This work details the generation of thin films of structured zeolite catalysts (ZSM–5 and Y) onto the surface of a metal substrate (FeCrAlloy) using in-situ hydrothermal synthesis. In addition, the zeolite Y is post-synthetically modified by acidified ammonium ion exchange to generate US-Y. Finally the catalytic activity of the structured ZSM-5 catalyst films (Si/Al = 11, thickness 146 µm) and structured US–Y catalyst film (Si/Al = 8, thickness 23µm) were compared with the pelleted powder form of ZSM–5 and USY catalysts of similar Si/Al ratios. The structured catalyst films have been characterised using a range of techniques, including X-ray diffraction (XRD), Electron microscopy (SEM), Energy Dispersive X–ray analysis (EDX) and Thermogravimetric Analysis (TGA). The transition from oxide-on-alloy wires to hydrothermally synthesised uniformly zeolite coated surfaces was followed using SEM and XRD. In addition, the robustness of the prepared coating was confirmed by subjecting these to thermal cycling (ambient to 550°C). The cracking of n–heptane over the pellets and structured catalysts for both ZSM–5 and Y zeolite showed very similar product selectivities for similar amounts of catalyst with an apparent activation energy of around 60 kJ mol-1. This paper demonstrates that structured catalysts can be manufactured with excellent zeolite adherence and when suitably activated/modified give comparable cracking results to the pelleted powder forms. These structured catalysts will improve temperature distribution in highly exothermic and endothermic catalysed processes.Keywords: FeCrAlloy, structured catalyst, zeolite Y, zeolite ZSM-5
Procedia PDF Downloads 3758397 Biochar as a Strong Adsorbent for Multiple-Metal Removal from Contaminated Water
Authors: Eman H. El-Gamal, Mai E. Khedr, Randa Ghonim, Mohamed Rashad
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In the past few years, biochar - a highly carbon-rich material produced from agro-wastes by pyrolysis process - was used as an effective adsorbent for heavy metals removal from polluted water. In this study, different types of biochar (rice straw 'RSB', corn cob 'CCB', and Jatropha shell 'JSB' were used to evaluate the adsorption capacity of heavy metals removal from multiple-metal solutions (Cu, Mn, Zn, and Cd). Kinetics modeling has been examined to illustrate potential adsorption mechanisms. The results showed that the potential removal of metal is dependent on the metal and biochar types. The adsorption capacity of the biochars followed the order: RSB > JSB > CCB. In general, RSB and JSB biochars presented high potential removal of heavy metals from polluted water, which was higher than 90 and 80% after 2 hrs of contact time for all metals, respectively. According to the kinetics data, the pseudo-second-order model was agreed strongly with Cu, Mn, Zn, and Cd adsorption onto the biochars (R2 ≥ 0.97), indicating the dominance of specific adsorption process, i.e., chemisorption. In conclusion, this study revealed that RSB and JSB biochar have the potential to be a strong adsorbent for multiple-metal removal from wastewater.Keywords: adsorption, biochar, chemisorption, polluted water
Procedia PDF Downloads 1418396 Biomphalaria alexandrina Snail as a Bio-Indicator of Pollution With Manganese Metal and Its Effect on Physiological, Immunological, Histopathological Parameters and Larvicidal Potencies
Authors: Amina M. Ibrahim, Ahmed A. Abdel-Haleem, Rania G. Taha
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Metal pollution results in many dangerous consequences to the environment and human health due to the bioaccumulation in their tissues. The present study aims to measure the bioaccumulation factor of the Manganese (Mn) heavy metal in Biomphlaria alexandrina snails' tissues and water samples. The present results showed the concentration of Mn heavy metal in water (87.5 mg/l) and its bioaccumulation factor in Helisoma duryi tissue was higher than that in tissues of Physa acuta and B. alexandrina snails. Results showed that 87.5 mg/l Mn concentration had miracidial and cercaricidal activities. Also, this concentration decreased the mean total number of the hemocytes after exposure for 24h or 48h, while increased both the mean mortality and phagocytic indices of the hemocytes of exposed snails. It caused alterations in the cytomorphology of the hemocytes of exposed snails after 24 or 48h, where, the granulocytes had irregular cell membrane, and forming pseudopodia. Besides, both levels of Testosterone (T) and Estradiol (E) were increased after exposure to 87.5mg/l Mn metal compared to the control group. Also, it increased MDA (Malonaldehyde) and TAC (Total antioxidant capacity) contents, while, decreased SOD (superoxide dismutase). Besides, it caused great histopathological damages in both hermaphrodite and digestive glands, represented in the degeneration of the gonadal, digestive, secretory cells and the connective tissues. Therefore, B. alexandrina might be used as sensitive bio-indicator of pollution with Mn heavy metal to avoid ethics rules; beside they are easily available and large in number.Keywords: manganese metal, B. alexandrina, hormonal alterations, histopathology
Procedia PDF Downloads 508395 Dynamic Model of Automatic Loom on SimulationX
Authors: A. Jomartov, A. Tuleshov, B. Tultaev
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One of the main tasks in the development of textile machinery is to increase the rapidity of automatic looms, and consequently, their productivity. With increasing automatic loom speeds, the dynamic loads on their separate mechanisms and moving joints sharply increase. Dynamic research allows us to determine the weakest mechanisms of the automatic loom. The modern automatic loom consists of a large number of structurally different mechanisms. These are cam, lever, gear, friction and combined cyclic mechanisms. The modern automatic loom contains various mechatronic devices: A device for the automatic removal of faulty weft, electromechanical drive warp yarns, electronic controllers, servos, etc. In the paper, we consider the multibody dynamic model of the automatic loom on the software complex SimulationX. SimulationX is multidisciplinary software for modeling complex physical and technical facilities and systems. The multibody dynamic model of the automatic loom allows consideration of: The transition processes, backlash at the joints and nodes, the force of resistance and electric motor performance.Keywords: automatic loom, dynamics, model, multibody, SimulationX
Procedia PDF Downloads 3388394 Electrochemical Top-Down Synthesis of Nanostructured Support and Catalyst Materials for Energy Applications
Authors: Peter M. Schneider, Batyr Garlyyev, Sebastian A. Watzele, Aliaksandr S. Bandarenka
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Functional nanostructures such as nanoparticles are a promising class of materials for energy applications due to their unique properties. Bottom-up synthetic routes for nanostructured materials often involve multiple synthesis steps and the use of surfactants, reducing agents, or stabilizers. This results in complex and extensive synthesis protocols. In recent years, a novel top-down synthesis approach to form metal nanoparticles has been established, in which bulk metal wires are immersed in an electrolyte (primarily alkali earth metal based) and subsequently subjected to a high alternating potential. This leads to the generation of nanoparticles dispersed in the electrolyte. The main advantage of this facile top-down approach is that there are no reducing agents, surfactants, or precursor solutions. The complete synthesis can be performed in one pot involving one main step with consequent washing and drying of the nanoparticles. More recent studies investigated the effect of synthesis parameters such as potential amplitude, frequency, electrolyte composition, and concentration on the size and shape of the nanoparticles. Here, we investigate the electrochemical erosion of various metal wires such as Ti, Pt, Pd, and Sn in various electrolyte compositions via this facile top-down technique and its experimental optimization to successfully synthesize nanostructured materials for various energy applications. As an example, for Pt and Pd, homogeneously distributed nanoparticles on carbon support can be obtained. These materials can be used as electrocatalyst materials for the oxygen reduction reaction (ORR) and hydrogen evolution reaction (HER), respectively. In comparison, the top-down erosion of Sn wires leads to the formation of nanoparticles, which have great potential as oxygen evolution reaction (OER) support materials. The application of the technique on Ti wires surprisingly leads to the formation of nanowires, which show a high surface area and demonstrate great potential as an alternative support material to carbon.Keywords: ORR, electrochemistry, electrocatalyst, synthesis
Procedia PDF Downloads 758393 Enzyme Redesign: From Metal-Dependent to Metal-Independent, a Symphony Orchestra without Concertmasters
Authors: Li Na Zhao, Arieh Warshel
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The design of enzymes is an extremely challenging task, and this is also true for metalloenzymes. In the case of naturally evolved enzymes, one may consider the active site residues as the musicians in the enzyme orchestra, while the metal can be considered as their concertmaster. Together they catalyze reactions as if they performed a masterpiece written by nature. The Lactonase can be thought as a member of the amidohydrolase family, with two concertmasters, Fe and Zn, at its active site. It catalyzes the quorum sensing signal- N-acyl homoserine lactones (AHLs or N-AHLs)- by hydrolyzing the lactone ring. This process, known as quorum quenching, provides a strategy in the treatment of infectious diseases without introducing selection pressure. However, the activity of lactonase is metal-dependent, and this dependence hampers the clinic usage. In our study, we use the empirical valence bond (EVB) approach to evaluate the catalytic contributions decomposing them to electrostatic and other components.Keywords: enzyme redesign, empirical valence bond, lactonase, quorum quenching
Procedia PDF Downloads 2428392 Non-Destructive Testing of Metal Pipes with Ultrasonic Sensors Based on Determination of Maximum Ultrasonic Frequency
Authors: Herlina Abdul Rahim, Javad Abbaszadeh, Ruzairi Abdul Rahim
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In this research, the non-invasive ultrasonic transmission tomography is investigated. In order to model the ultrasonic wave scattering for different thickness of metal pipes, two-dimensional (2D) finite element modeling (FEM) has been utilized. The wall thickness variation of the metal pipe and its influence on propagation of the ultrasonic pressure wave are explored in this paper, includes frequency analysing in order to find the maximum applicable frequency. The simulation results have been compared to experimental data and are shown to provide key insight for this well-defined experimental case by explaining the achieved reconstructed images from experimental setup. Finally, the experimental results which are useful for further investigation for the application of ultrasonic transmission tomography in industry are illustrated.Keywords: ultrasonic transmission tomography, ultrasonic sensors, ultrasonic wave, non-invasive tomography, metal pipe
Procedia PDF Downloads 3498391 Development of Swing Valve for Gasoline Turbocharger Using Hybrid Metal Injection Molding
Authors: B. S. So, Y. H. Yoon, J. O. Jung, K. S. Bae
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Metal Injection Molding (MIM) is a technology that combines powder metallurgy and injection molding. Particularly, it is widely applied to the manufacture of precision mobile parts and automobile turbocharger parts because compact precision parts with complicated three-dimensional shapes that are difficult to machining are formed into a large number of finished products. The swing valve is a valve that adjusts the boost pressure of the turbocharger. Since the head portion is exposed to the harsh temperature condition of about 900 degrees in the gasoline GDI engine, it is necessary to use Inconel material with excellent heat resistance and abrasion resistance, resulting in high manufacturing cost. In this study, we developed a swing valve using a metal powder injection molding based hybrid material (Inconel 713C material with heat resistance is applied to the head part, and HK30 material with low price is applied to the rest of the body part). For this purpose, the process conditions of the metal injection molding were optimized to minimize the internal defects, and the effectiveness was confirmed by the fracture strength and fatigue test.Keywords: hybrid metal injection molding, swing valve, turbocharger, double injection
Procedia PDF Downloads 2068390 Understanding Farmers’ Perceptions Towards Agrivoltaics Using Decision Tree Algorithms
Authors: Mayuri Roy Choudhury
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In recent times the concept of agrivoltaics has gained popularity due to the dual use of land and the added value provided by photovoltaics in terms of renewable energy and crop production on farms. However, the transition towards agrivoltaics has been slow, and our research tries to investigate the obstacles leading towards the slow progress of agrivoltaics. We applied data science decision tree algorithms to quantify qualitative perceptions of farmers in the United States for agrivoltaics. To date, there has not been much research that mentions farmers' perceptions, as most of the research focuses on the benefits of agrivoltaics. Our study adds value by putting forward the voices of farmers, which play a crucial towards the transition to agrivoltaics in the future. Our results show a mixture of responses in favor of agrivoltaics. Furthermore, it also portrays significant concerns of farmers, which is useful for decision-makers when it comes to formulating policies for agrivoltaics.Keywords: agrivoltaics, decision-tree algorithms, farmers perception, transition
Procedia PDF Downloads 1858389 Investigation of the Heavy Metal Pollution of the River Ecosystems in the Lake Sevan Basin, Armenia
Authors: G. Gevorgyan, S. Khudaverdyan, A. Vaseashta
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The Lake Sevan basin is situated in the eastern part of the Republic of Armenia (Gegharquniq marz/district). The heavy metal pollution of the some tributaries of Lake Sevan was investigated. Water sampling was performed in August and December, 2014 from the 4 observation sites: 1) Sotq river upstream (about 600 meters upstream from the Sotq gold mine); 2) Sotq river mouth; 3) Masrik river mouth; 4) Dzknaget river mouth. Heavy metal (V, Fe, Ni, Cu, As, Mo, Pb) concentrations in the water samples were determined by the standard methods using an atomic absorption spectrophotometer. The results of the study showed that heavy metal content mainly increased from the upstream of the Sotq river to the mouth of the Masrik river which may have been conditioned by the influence of gold mining activity as the Masrik and its tributary-Sotq rivers passing through the gold mining area were exposed to heavy metal pollution. The observation sites can be ranked by pollution degree as follows: №3> №2> №1> №4. The highest heavy metal pollution degree was observed in the Masrik river mouth which may have been conditioned by the direct impact of gold mining activity and the pressure of its tributary–the Sotq river which flows through the gold mining area. The lowest heavy metal pollution degree was registered in the Dzknaget river mouth which flowing through rural areas wasn’t subject to significant heavy metal pollution. According to the observation sites of the Sotq and Masrik rivers, high positive correlation was mainly observed between the concentrations of the investigated heavy metals (except nickel) which indicated that all the heavy metals except the nickel had the same anthropogenic pollution source which was the activity of the Sotq gold mine. In general, it is possible to state that the activity of the Sotq gold mine in the Lake Sevan basin caused the heavy metal pollution of the Sotq and Masrik rivers which may have posed environmental hazards. Heavy metals are nondegradable substances, and heavy metal pollution of freshwater systems may pose risks to the environment and human health through accumulation in the tissues of aquatic organisms, water-food chain as well as oral ingestion and dermal contact.Keywords: Armenia, Lake Sevan basin, gold mining activity, river ecosystems, heavy metal pollution
Procedia PDF Downloads 5818388 Application of a Series of New Platinum Organometallic Complexes Derived from Bidentate Schiff Base Ligands in the Hydrogenative and Dehydrogenative Silylation of Styrene
Authors: M. Belhadj Lachachi, Tayeb Benabdallah, M. Hadj Youcef, Jason M. Lynama
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The application of inorganic chemistry to catalysis and environmental chemistry is a rapidly developing field, and novel catalytic metal complexes are now having an impact on the industrial development practice. Advances in organometallic chemistry are crucial for improving the design of compounds to reduce toxic side effects and understand their mechanisms of action. The reaction of platinum(II) organometallic complexes with bidentate Schiff bases derived from 2-Hydroxynaphtalydeneaniline have been carried out. It concerns N,N’-naphtalidene para-nitroaniline (1-a), the, the N,N’-naphtalidene para-ethoxyaniline (1-b), the N,N’-naphtalideneaniline (1-c), the N,N’-naphtalidene para-chloroaniline (1-d) and the N,N’-naphtalidene para-methoxyaniline (1-e). The ligands were fully characterized by I.R., elemental analysis, 1H-NMR, 13C-NMR, ESI Mass Spectrometry and X-Ray Diffraction. The resulting metal complexes were obtained as a cationic species, through a simple substitution reaction, leading to two geometric isomers [1, 2], and characterized by IR, 1H-NMR, 13C-NMR, LIFDI Mass Spectrometry and supported by Elemental Analysis and X-Ray diffraction. Furthermore, a bimetallic platinum complex was prepared from the same ligands and dichloro(1,5-cyclooctadiene)platinum and characterized by X-Ray diffraction [3]The catalytic properties of the prepared platinum complexes in the hydrogenative and dehydrogenative silylation of styrene were investigated, and reaction kinetics conversion to products was determined by 1H-NMR and confirmed by GC-MS. This presentation will detail a comparison of the catalytic activity of five platinum organometallic complexes bearing different Schiff base ligands in the hydrosilylation of styrene, varying the experimental conditions of temperature, nature of the complex and the loading of the catalyst.Keywords: catalysis, hydrosilylation, organometallic, schiff base
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