Search results for: metal free fluorinated phthalocyanine
5719 Synthetic Access to Complex Metal Carbonates and Hydroxycarbonates via Sol-Gel Chemistry
Authors: Schirin Hanf, Carlos Lizandara-Pueyo, Timmo P. Emmert, Ivana Jevtovikj, Roger Gläser, Stephan A. Schunk
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Metal alkoxides are very versatile precursors for a broad array of complex functional materials. However, metal alkoxides, especially transition metal alkoxides, tend to form oligomeric structures due to the very strong M–O–M binding motif. This fact hinders their facile application in sol-gel-processes and complicates access to complex carbonate or oxidic compounds after hydrolysis of the precursors. Therefore, the development of a synthetic alternative with the aim to grant access to carbonates and hydroxycarbonates from simple metal alkoxide precursors via hydrolysis is key to this project. Our approach involves the reaction of metal alkoxides with unsaturated isoelectronic molecules, such as carbon dioxide. Subsequently, a stoichiometric insertion of the CO₂ into the alkoxide M–O bond takes place and leads to the formation of soluble metal alkyl carbonates. This strategy is a very elegant approach to solubilize metal alkoxide precursors to make them accessible for sol-gel chemistry. After hydrolysis of the metal alkyl carbonates, crystalline metal carbonates, and hydroxycarbonates can be obtained, which were then utilized for the synthesis of Cu/Zn based bulk catalysts for methanol synthesis. Using these catalysts, a comparable catalytic activity to commercially available MeOH catalysts could be reached. Based on these results, a complement for traditional precipitation techniques, which are usually utilized for the synthesis of bulk methanol catalysts, have been found based on an alternative solubilization strategy.Keywords: metal alkoxides, metal carbonates, metal hydroxycarbonates, CO₂ insertion, solubilization
Procedia PDF Downloads 1855718 Structural and Ion Exchange Studies of Terpolymer Resin Derived from 4, 4'-Biphenol-4,4'-Oxydianiline-Formaldehyde
Authors: Pawan P. Kalbende, Anil B. Zade
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A novel terpolymer resin has been synthesized by condensation polymerization reaction of 4,4’-biphenol and 4,4’-oxydianiline with formaldehyde in presence of 2M hydrochloric acid as catalyst. Composition of resin was determined on the basis of their elemental analysis and further characterized by UV-Visible, infra-red and nuclear magnetic resonance spectroscopy to confine the most probable structure of synthesized terpolymer. Newly synthesized terpolymer was proved to be a selective chelating ion-exchanger for certain metal ions and were studied for Fe3+, Cu2+, Ni2+, Co2+, Zn2+, Cd2+, Hg2+ and Pb2+ ions using their metal nitrate solutions. A batch equilibrium method was employed to study the selectivity of metal ions uptake involving the measurements of the distribution of a given metal ion between the terpolymer sample and a solution containing the metal ion. The study was carried out over a wide pH range, shaking time and in media of different electrolytes at different ionic strengths. Distribution ratios of metal ions were found to be increased by rising pH of the solutions. Hence, it can be used to recover certain metal ions from waste water for the purpose of purification of water and removal of iron from boiler water.Keywords: terpolymers, ion-exchangers, distribution ratio, metal ion uptake
Procedia PDF Downloads 2945717 Precise Electrochemical Metal Recovery from Emerging Waste Streams
Authors: Wei Jin
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Efficient and selective metal recovery from emerging solid waste, such as spent lithium batteries, electronic waste and SCR catalysts, is of great importance from both environmental and resource considerations. In order to overcome the bottlenecks of long flow-sheet and severe secondary pollution in conventional processes, the rational design of 2-electron oxygen reduction reaction (ORR) and capacitive deionization (CDI) nanomaterials were developed for the precise electrochemical metal recovery. It has been demonstrated that the modified carbon nanomaterials can be employed as 2e ORR to produce H2O2 in aqueous solution, in which the metal can be leached out from the solid waste as ions. Moreover, the multi-component metallic solution can be electrochemically extracted with good efficiency and selectivity with the nanoporous aerogel. Each system presents stable performance for long-term operation and can be used in industrial solid waste treatment. This study provides a materials-oriented, cleaner metal recovery approach for strategic metal resources sustainability.Keywords: electrochemistry, metal recovery, waste steams, nanomaterials
Procedia PDF Downloads 65716 Aryne Mediated, Transition-Metal Free Arylations of Quinolines for Medicinal and Materials Applications
Authors: Rakesh Kumar, Shashi Janeoo, Ankit Dhiman, Siddharth Chopra
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Arynes are versatile reactive intermediates that offer broad opportunities in green organic synthesis. Arynes are potential aryl group surrogates for the transition metal-free environment friendly arylation reactions. Regioselective arylations of quinolines were achieved by the reactions of quinoline N-oxides with aryne intermediates generated in situ from the Kobayashi precursors. Various 2-substituted quinolines provided 3-arylated-2-substituted quinolines under ambient conditions. Acridine N-oxides also reacted well and provided unusual 4-arylacridines. Various fluorine containing 2,3-diarylquinaolines prepared using this approach were evaluated for antibacterial activity and two compounds inhibited the drug-resistant strains of S-aureus with a good selectivity index. Further, the 2,3-diarylquinolines as the potential optoelectronic materials were prepared by the aryne chemistry approach and their optical and electronic properties for such applications are under study. The aryne intermediates provide an effective Green Chemistry tool to achieve versatile arylated heteroarenes for diverse applications.Keywords: arynes, arylation, quinolines, acridines.
Procedia PDF Downloads 905715 A Density Functional Theory Study of Metal-Porphyrin Graphene for CO2 Hydration
Authors: Manju Verma, Parag A. Deshpande
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Electronic structure calculations of hydrogen terminated metal-porphyrin graphene were carried out to explore the catalytic activity for CO2 hydration reaction. A ruthenium atom was substituted in place of carbon atom of graphene and ruthenium chelated carbon atoms were replaced by four nitrogen atoms in metal-porphyrin graphene system. Ruthenium atom created the active site for CO2 hydration reaction. Ruthenium-porphyrin graphene followed the mechanism of carbonic anhydrase enzyme for CO2 conversion to HCO3- ion. CO2 hydration reaction over ruthenium-porphyrin graphene proceeded via the elementary steps: OH- formation from H2O dissociation, CO2 bending in presence of nucleophilic attack of OH- ion, HCO3- ion formation from proton migration, HCO3- ion desorption by H2O addition. Proton transfer to yield HCO3- ion was observed as a rate limiting step from free energy landscape.Keywords: ruthenium-porphyrin graphene, CO2 hydration, carbonic anhydrase, heterogeneous catalyst, density functional theory
Procedia PDF Downloads 2565714 Palladium/Platinum Complexes of Tridentate 4-Acylpyrazolone Thiosemicarbazone with Antioxidant Properties
Authors: Omoruyi G. Idemudia, Alexander P. Sadimenko
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The need for the development of new sustainable bioactive compounds with unique properties that can become potential replacement for commonly used medicinal drugs has continued to gain tremendous research concerns because of the problems of disease resistant to these medicinal drugs and their toxicity effects. NOS-donor heterocycles are particularly of interest as they have showed good pharmacological activities in the midst of their interesting chelating properties towards metal ions, an important characteristic for transition metal based drugs design. These new compounds have also gained application as dye sensitizers in solar cell panels for the generation of renewable solar energy, as greener water purification polymer for supply and management of clean water and as catalysts which are used to reduce the amount of pollutants from industrial reaction processes amongst others, because of their versatile properties. Di-ketone acylpyrazolones and their azomethine schiff bases have been employed as pharmaceuticals as well as analytical reagents, and their application as transition metal complexes have being well established. In this research work, a new 4-propyl-3-methyl-1-phenyl-2-pyrazolin-5-one-thiosemicarbazone was synthesized from the reaction of 4-propyl-3-methyl-1-phenyl-2-pyrazolin-5-one and thiosemicarbazide in methanol. The pure isolate of the thiosemicarbazone was further reacted with aqueous solutions of palladium and platinum salts to obtain their metal complexes, in an effort towards the discovery of transition metal based synthetic drugs. These compounds were characterized by means of analytical, spectroscopic, thermogravimetric analysis TGA, as well as x-ray crystallography. 4-propyl-3-methyl-1-phenyl-2-pyrazolin-5-one thiosemicarbazone crystallizes in a triclinic crystal system with a P-1 (No. 2) space group according to x-ray crystallography. The tridentate NOS ligand formed a tetrahedral geometry on coordinating with metal ions. Reported compounds showed varying antioxidant free radical scavenging activities against 2, 2-diphenyl-1-picrylhydrazyl DPPH radical at 100, 200, 300, 400 and 500 µg/ml concentrations. The platinum complex have shown a very good antioxidant property against DPPH with an IC50 of 76.03 µg/ml compared with standard ascorbic acid (IC50 of 74.66 µg/ml) and as such have been identified as a potential anticancer candidate.Keywords: acylpyrazolone, free radical scavenging activities, tridentate ligand, x-ray crystallography
Procedia PDF Downloads 1845713 Joining of Aluminum and Steel in Car Body Manufacturing
Authors: Mohammad Mahdi Mohammadi
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Zinc-coated steel sheets have been joined with aluminum samples in an overlapping as well as in a butt-joint configuration. A bi-metal-wire composed from aluminum and steel was used for additional welding experiments. An advantage of the laser-assisted bi-metal-wire welding is that the welding process is simplified since the primary joint between aluminium and steel exists already and laser welding occurs only between similar materials. FEM-simulations of the process were chosen to determine the ideal dimensions with respect to the formability of the bi-metal-wire. A prototype demonstrated the feasibility of the process.Keywords: car body, steel sheets, formability of bi-metal-wire, laser-assisted bi-metal-wire
Procedia PDF Downloads 5075712 Terahertz Surface Plasmon in Carbon Nanotube Dielectric Interface via Amplitude Modulated Laser
Authors: Monika Singh
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A carbon nanotube thin film coated on dielectric interface is employed to produce THz surface plasma wave (SPW). The carbon nanotube has its plasmon frequency in the THz range. The SPW field falls off away from the metal film both inside the dielectric as well as in free space. An amplitude modulated laser pulse normally incident, from free space on slow wave structure, exert a modulation frequency ponderomotive force on the free electrons of the CNT film and resonantly excite the THz surface plasma wave at the modulation frequency. Carbon nanotube based plasmonic nano-structure materials provides potentially more versatile approach to tightly confined surface modes in the THz range in comparison to noble metals.Keywords: surface plasmons, surface waves, thin films, THz radiation
Procedia PDF Downloads 3895711 Compare Hot Forming and Cold Forming in Rolling Process
Authors: Ali Moarrefzadeh
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In metalworking, rolling is a metal forming process in which metal stock is passed through a pair of rolls. Rolling is classified according to the temperature of the metal rolled. If the temperature of the metal is above its recrystallization temperature, then the process is termed as hot rolling. If the temperature of the metal is below its recrystallization temperature, the process is termed as cold rolling. In terms of usage, hot rolling processes more tonnage than any other manufacturing process, and cold rolling processes the most tonnage out of all cold working processes. This article describes the use of advanced tubing inspection NDT methods for boiler and heat exchanger equipment in the petrochemical industry to supplement major turnaround inspections. The methods presented include remote field eddy current, magnetic flux leakage, internal rotary inspection system and eddy current.Keywords: hot forming, cold forming, metal, rolling, simulation
Procedia PDF Downloads 5275710 Towards a Complete Automation Feature Recognition System for Sheet Metal Manufacturing
Authors: Bahaa Eltahawy, Mikko Ylihärsilä, Reino Virrankoski, Esko Petäjä
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Sheet metal processing is automated, but the step from product models to the production machine control still requires human intervention. This may cause time consuming bottlenecks in the production process and increase the risk of human errors. In this paper we present a system, which automatically recognizes features from the CAD-model of the sheet metal product. By using these features, the system produces a complete model of the particular sheet metal product. Then the model is used as an input for the sheet metal processing machine. Currently the system is implemented, capable to recognize more than 11 of the most common sheet metal structural features, and the procedure is fully automated. This provides remarkable savings in the production time, and protects against the human errors. This paper presents the developed system architecture, applied algorithms and system software implementation and testing.Keywords: feature recognition, automation, sheet metal manufacturing, CAD, CAM
Procedia PDF Downloads 3535709 Induction Heating and Electromagnetic Stirring of Bi-Phasic Metal/Glass Molten Bath for Mixed Nuclear Waste Treatment
Authors: P. Charvin, R. Bourrou, F. Lemont, C. Lafon, A. Russello
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For nuclear waste treatment and confinement, a specific IN-CAN melting module based on low-frequency induction heating have been designed. The frequency of 50Hz has been chosen to improve penetration length through metal. In this design, the liquid metal, strongly stirred by electromagnetic effects, presents shape of a dome caused by strong Laplace forces developing in the bulk of bath. Because of a lower density, the glass phase is located above the metal phase and is heated and stirred by metal through interface. Electric parameters (Intensity, frequency) give precious information about metal load and composition (resistivity of alloy) through impedance modification. Then, power supply can be adapted to energy transfer efficiency for suitable process supervision. Modeling of this system allows prediction of metal dome shape (in agreement with experimental measurement with a specific device), glass and metal velocity, heat and motion transfer through interface. MHD modeling is achieved with COMSOL and Fluent. First, a simplified model is used to obtain the shape of the metal dome. Then the shape is fixed to calculate the fluid flow and the thermal part.Keywords: electromagnetic stirring, induction heating, interface modeling, metal load
Procedia PDF Downloads 2645708 Synthesis of 2-Aminoisocoumarinoselenazoles via Transition Metal-Free Alkylation and Ru(II)-Catalyzed [4+2] Alkyne Annulation
Authors: Sunil Kumar, Sandip Dhole, Deepak Salunke, Chung-ming Sun
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Heterocycles bearing nitrogen, oxygen, and selenium are present in innumerable biologically active compounds. For instance, coumarin containing dicoumarol acts as naturally occurring anticoagulant. 2-Acylamido selenazole works as Store-Operated Calcium (SOC) channel regulator. Therefore, due to biologically significance of selenazole and coumarin and our quest to develop efficient methodologies for the synthesis of complex heterocycles, the trisubstituted angular isocoumarinoselenazole synthesis was proposed and achieved by starting from nitrobenzoic acid derivative, available commercially. Synthetic procedure involves three steps: i) the construction of 2-aminobenzoselenazoles, ii) their regioselective N-alkylation at position-2 and iii) alkyne insertion via Ru catalyzed C-H activation. Transition metal free synthesis of benzoselenazoles was successfully brought about by the addition/elimination reaction via intramolecular C-Se bond formation. In the next step, N-alkylation of selenazole furnished two regioisomers. Both the isomers exhibited different reactivity towards [4+2] alkyne annulation reaction. The fusion of α-pyrone ring on the benzo[1,3-d]selenazole skeleton was achieved via Ru(II)-catalyzed C-H activation and alkyne insertion. As evident from mechanism, the selenazole 'N' plays an important role for the experiential selectivity.Keywords: alkylation, alkyne insertion, coumarin, selenazole
Procedia PDF Downloads 1235707 Progressive Loading Effect of Co Over SiO2/Al2O3 Catalyst for Cox Free Hydrogen and Carbon Nanotubes Production via Catalytic Decomposition of Methane
Authors: Sushil Kumar Saraswat, K. K. Pant
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Co metal supported on SiO2 and Al2O3 catalysts with a metal loading varied from 30 of 70 wt.% were evaluated for decomposition of methane to CO/CO2 free hydrogen and carbon nano materials. The catalytic runs were carried out from 550-800 oC under atmospheric pressure using fixed bed vertical flow reactor. The fresh and spent catalysts were characterized by BET surface area analyzer, TPR, XRD, SEM, TEM, and TG analysis. The data showed that 50% Co/Al2O3 catalyst exhibited remarkable higher activity and stability up to 10 h time-on-stream at 750 oC with respect to H2 production compared to rest of the catalysts. However, the catalytic activity and durability was greatly declined at a higher temperature. The main reason for the catalytic inhibition of Co containing SiO2 catalysts is the higher reduction temperature of Co2SiO4. TEM images illustrate that the carbon materials with various morphologies, carbon nanofibers (CNFs), helical-shaped CNFs, and branched CNFs depending on the catalyst composition and reaction temperature, were obtained. The TG data showed that a higher yield of MWCNTs was achieved over 50% Co/Al2O3 catalyst compared to other catalysts.Keywords: carbon nanotubes, cobalt, hydrogen production, methane decomposition
Procedia PDF Downloads 3215706 Antioxidant Potential and Inhibition of Key Enzymes Linked to Alzheimer's Diseases and Diabetes Mellitus by Monoterpene-Rich Essential Oil from Sideritis Galatica Bornm. Endemic to Turkey
Authors: Gokhan Zengin, Cengiz Sarikurkcu, Abdurrahman Aktumsek, Ramazan Ceylan
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The present study was designated to characterize the essential oil from S. galatica (SGEOs) and evaluate its antioxidant and enzyme inhibitory activities. Antioxidant capacity were tested different methods including free radical scavenging (DPPH, ABTS and NO), reducing power (FRAP and CUPRAC), metal chelating and phosphomolybdenum. Inhibitory activities were analyzed on acetylcholiesterase, butrylcholinesterase, α-amylase and α-glucosidase. SGEOs were chemically analyzed and identified by gas chromatography (GC) and gas chromatography/mass spectrophotometry (GC/MS). 23 components, representing 98.1% of SGEOs were identified. Monoterpene hydrocarbons (74.1%), especially α- (23.0%) and β-pinene (32.2%), were the main constituents in SGEOs. The main sesquiterpene hydrocarbons were β-caryophyllene (16.9%), Germacrene-D (1.2%) and Caryophyllene oxide (1.2%), respectively. Generally, SGEOs has shown moderate free radical, reducing power, metal chelating and enzyme inhibitory activities. These activities related to chemical profile in SGEOs. Our findings supported that the possible utility of SGEOs is a source of natural agents for food, cosmetics or pharmaceutical industries.Keywords: sideritis galatica, antioxidant, monoterpenes, cholinesterase, anti-diabetic
Procedia PDF Downloads 4375705 Synthesis of NiO and ZnO Nanoparticles and Charactiration for the Eradication of Lead (Pb) from Wastewater
Authors: Sadia Ata, Anila Tabassum, Samina ghafoor, Ijaz ul Mohsin, Azam Muktar
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Heavy metal ions such as Pb2+, Cd2+, Zn2+, Ni2+ and Hg2+, in wastewater are considered as the serious environmental problem. Among these heavy metals, Lead or Pb (II) is the most toxic heavy metal. Exposure to lead causes damage of nervous system, mental retardation, renal kidney disease, anemia and cancer in human beings. Adsorption is the most widely used method to remove metal ions based on the physical interaction between metal ions and sorbents. With the development of nanotechnology, nano-sized materials are proved to be effective sorbents for the removal of heavy metal ions from wastewater due to their unique structural properties. The present work mainly focuses on the synthesis of NiO and ZnO nanoparticles for the removal of Lead ions, their preparation, characterization by XRD, FTIR, SEM, and TEM, adsorption characteristics and mechanism, along with adsorption isotherm model and adsorption kinetics to understand the adsorption procedure.Keywords: heavy metal, adsorption isotherms, nanoparticles, wastewater
Procedia PDF Downloads 5875704 Sonication as a Versatile Tool for Photocatalysts’ Synthesis and Intensification of Flow Photocatalytic Processes Within the Lignocellulose Valorization Concept
Authors: J. C. Colmenares, M. Paszkiewicz-Gawron, D. Lomot, S. R. Pradhan, A. Qayyum
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This work is a report of recent selected experiments of photocatalysis intensification using flow microphotoreactors (fabricated by an ultrasound-based technique) for photocatalytic selective oxidation of benzyl alcohol (BnOH) to benzaldehyde (PhCHO) (in the frame of the concept of lignin valorization), and the proof of concept of intensifying a flow selective photocatalytic oxidation process by acoustic cavitation. The synthesized photocatalysts were characterized by using different techniques such as UV-Vis diffuse reflectance spectroscopy, X-ray diffraction, nitrogen sorption, thermal gravimetric analysis, and transmission electron microscopy. More specifically, the work will be on: a Design and development of metal-containing TiO₂ coated microflow reactor for photocatalytic partial oxidation of benzyl alcohol: The current work introduces an efficient ultrasound-based metal (Fe, Cu, Co)-containing TiO₂ deposition on the inner walls of a perfluoroalkoxy alkanes (PFA) microtube under mild conditions. The experiments were carried out using commercial TiO₂ and sol-gel synthesized TiO₂. The rough surface formed during sonication is the site for the deposition of these nanoparticles in the inner walls of the microtube. The photocatalytic activities of these semiconductor coated fluoropolymer based microreactors were evaluated for the selective oxidation of BnOH to PhCHO in the liquid flow phase. The analysis of the results showed that various features/parameters are crucial, and by tuning them, it is feasible to improve the conversion of benzyl alcohol and benzaldehyde selectivity. Among all the metal-containing TiO₂ samples, the 0.5 at% Fe/TiO₂ (both, iron and titanium, as cheap, safe, and abundant metals) photocatalyst exhibited the highest BnOH conversion under visible light (515 nm) in a microflow system. This could be explained by the higher crystallite size, high porosity, and flake-like morphology. b. Designing/fabricating photocatalysts by a sonochemical approach and testing them in the appropriate flow sonophotoreactor towards sustainable selective oxidation of key organic model compounds of lignin: Ultrasonication (US)-assitedprecipitaion and US-assitedhydrosolvothermal methods were used for the synthesis of metal-oxide-based and metal-free-carbon-based photocatalysts, respectively. Additionally, we report selected experiments of intensification of a flow photocatalytic selective oxidation through the use of ultrasonic waves. The effort of our research is focused on the utilization of flow sonophotocatalysis for the selective transformation of lignin-based model molecules by nanostructured metal oxides (e.g., TiO₂), and metal-free carbocatalysts. A plethora of parameters that affects the acoustic cavitation phenomena, and as a result the potential of sonication were investigated (e.g. ultrasound frequency and power). Various important photocatalytic parameters such as the wavelength and intensity of the irradiated light, photocatalyst loading, type of solvent, mixture of solvents, and solution pH were also optimized.Keywords: heterogeneous photo-catalysis, metal-free carbonaceous materials, selective redox flow sonophotocatalysis, titanium dioxide
Procedia PDF Downloads 1015703 Development and Characterization of a Fluorinated-Ethylene-Propylene (FEP) Polymer Coating on Brass Faucets
Authors: S. Zouari, H. Ghorbel, H. Liao, R. Elleuch
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Research is increasingly moving towards the use of surface treatment processes to limit environmental effects. Electrolytic plating has traditionally been seen as a way to protect brass products, especially faucets, from mechanical and chemical damage. However, this method was not effective industrially, economically and ecologically. The aim of this work is to develop non-usual polymer coatings for brass faucets in order to improve the performance of brass and to replace electrolytic chromium coatings, thereby reducing environmental impact. Fluorinated-Ethylene-Propylene polymer (FEP) was chosen for its excellent mechanical and chemical properties and its good environmental performance. This coating was developed by spraying (painting) process onto brass substrates. The coatings obtained were characterized using a scanning electron microscope to evaluate the morphology of the deposits and their porosity rate. Grid adhesion, surface energy and corrosion tests (salt spray) were also performed to evaluate the mechanical and chemical behavior of these coatings properly. The results show that the deposits obtained have a homogeneous microstructure with a very low porosity rate. The results of the grid adhesion test prove the conformity of the test according to the NF077 standard. The coatings have a hydrophobic character following the low values of surface energy obtained and a very good resistance to corrosion. These results are interesting and may represent real technological issues in the industrial field.Keywords: FEP coatings, spraying process, brass, adhesion, surface energy, corrosion resistance
Procedia PDF Downloads 1405702 The Effect of Soil Treatment on Micro Metal Contents in Soil at UB Forest in Malang District, East Java, Indonesia
Authors: Adam Wiryawan
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The levels of micro metal elements in the soil are influenced by soil management. In this research, the influence of soil management on the content of micro metal elements in the soil in the UB forest was studied. The metals studied include Zn, Mn, Cu, Fe, Cd, and Pb. Soil samples were taken from five sampling points on soil in the UB forest, both soils tilled and untilled. Before analysis, soil samples were digested with HNO₃ solution, and metal levels in soil samples were measured using atomic absorption spectrometry (AAS). The results of the analysis of metal content in the soil at the UB forest show that tilled land has consistently lower levels of metals like Zn, Mn, Cu, and Fe compared to untilled land. Meanwhile, Pb and Cd metals were not detected in all soil samples.Keywords: soil treatment, metal content, forest soil, Malang District
Procedia PDF Downloads 35701 C₅₉Pd: A Heterogeneous Catalytic Material for Heck Coupling Reaction
Authors: Manjusha C. Padole, Parag A. Deshpande
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Density functional theory calculations were carried out for identification of an active heterogeneous catalyst to carry out Heck coupling reaction which is of pharmaceutical importance. One of the carbonaceous nanomaterials, heterofullerene, was designed for the reaction. Stability and reactivity of the proposed heterofullerenes (C59M, M = Pd/Ni) were established with insights into the metal-carbon bond, electron affinity and chemical potential. Adsorbent potentials of both the heterofullerenes were examined from the adsorption study of four halobenzenes (C6H5F, C6H5Cl, C6H5Br and C6H5I). Oxidative addition activities of all four halobenzenes were investigated by developing free energy landscapes over both the heterofullerenes for rate determining step (oxidative addition). C6H5I showed a good catalytic activity for the rate determining step. Thus, C6H5I was proposed as a suitable halobenzene and complete free energy landscapes for Heck coupling reaction were developed over C59Pd and C59Ni. Smaller activation barriers observed over C59Pd in comparison with C59Ni put us in a position to propose C59Pd to be an efficient heterofullerene for carrying Heck coupling reaction.Keywords: metal-substituted fullerene, density functional theory, electron affinity, oxidative addition, Heck coupling reaction
Procedia PDF Downloads 2235700 Kinetics of Acetaminophen Based Oscillatory Chemical Reaction with and without Ferroin as Catalyst: An Inorganic Prototype Model for Paracetamol-Ethanol Syndrome
Authors: Nadeem Bashir, Ghulam Mustafa Peerzada
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The present study pertains to the nonlinear behavior of acetaminophen based uncatalyzed Belousov-Zhabotinsky (BZ) oscillator and its dynamics in the presence of Ferroin as the catalyst. The role of free metal ions as catalysts was examined and the results compared with corresponding complexed catalysts. Free metal ions were found to be sluggish with respect to the evolution of the oscillatory regime as compared to complexed ones. Effect of change of the ligand moiety of the catalyst complex on the oscillatory parameters was monitored. Since ethanol potentiates the hepatotoxicity caused by acetaminophen in-vivo, it is thought to understand this interaction by virtue of causing perturbation of the acetaminophen based oscillator with different concentrations of the ethanol with and without ferroin as the catalyst. Another dimension to the ethanol effect was added by perturbation of the system with ethanol at different stages of the reaction so as to get an idea whether it is acetaminophen or some reactive intermediate generated in the reaction system which reacts with ethanol. Further, the ferroin-catalyzed oscillator is taken as a prototype inorganic model of the acetaminophen-ethanol syndrome, as ferroin and HOBr were inorganic replacements to Cyt P450 and NADPH in the alcohol metabolism.Keywords: Belousov-Zhabotinsky reaction, ferroin, Paracetamol-Ethanol syndrome, kinetics
Procedia PDF Downloads 5305699 Optimization of Three-Layer Corrugated Metal Gasket by Using Finite Element Method
Authors: I Made Gatot Karohika, Shigeyuki Haruyama, Ken Kaminishi
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In this study, we proposed a three-layer metal gasket with Al, Cu, and SUS304 as the material, respectively. A finite element method was employed to develop simulation solution and design of experiment (DOE). Taguchi method was used to analysis the effect of each parameter design and predicts optimal design of new 25A-size three layer corrugated metal gasket. The L18 orthogonal array of Taguchi method was applied to design experiment matrix for eight factors with three levels. Based on elastic mode and plastic mode, optimum design gasket is gasket with core metal SUS304, surface layer aluminum, p1 = 4.5 mm, p2 = 4.5 mm, p3 = 4 mm, Tg = 1.2 mm, R = 3.5 mm, h = 0.4 mm and Ts = 0.3 mm.Keywords: contact width, contact stress, layer, metal gasket, corrugated, simulation
Procedia PDF Downloads 3145698 Latest Finding about Copper Sulfide Biomineralization and General Features of Metal Sulfide Biominerals
Authors: Yeseul Park
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Biopolymers produced by organisms highly contribute to the production of metal sulfides, both in extracellular and intracellular biomineralization. We discovered a new type of intracellular biomineral composed of copper sulfide in the periplasm of a sulfate-reducing bacterium. We suggest that the structural features of biomineral composed of 1-2 nm subgrains are based on biopolymer-based capping agents and an organic compartment. We further compare with other types of metal sulfide biominerals.Keywords: biomineralization, copper sulfide, metal sulfide, biopolymer, capping agent
Procedia PDF Downloads 1105697 Preparation of Protective Coating Film on Metal Alloy
Authors: Rana Th. A. Al-rubaye
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A novel chromium-free protective coating films based on a zeolite coating was growing onto a FeCrAlloy metal using in –situ hydrothermal method. The zeolite film was obtained using in-situ crystallization process that is capable of coating large surfaces with complex shape and in confined spaces has been developed. The zeolite coating offers an advantage of a high mechanical stability and thermal stability. The physico-chemical properties were investigated using 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).Keywords: fecralloy, zsm-5 zeolite, zeolite coatings, hydrothermal method
Procedia PDF Downloads 3935696 Biosorption of Lead (II) from Aqueous Solution Using Marine Algae Chlorella pyrenoidosa
Authors: Pramod Kumar, A. V. N. Swamy, C. V. Sowjanya, C. V. Ramachandra Murthy
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Biosorption is one of the effective methods for the removal of heavy metal ions from aqueous solutions. Results are presented showing the sorption of Pb(II) from solutions by biomass of commonly available marine algae Chlorella sp. The ability of marine algae Chlorella pyrenoidosa to remove heavy metal ion (Pb(II)) from aqueous solutions has been studied in this work. The biosorption properties of the biosorbent like equilibrium agitation time, optimum pH, temperature and initial solute concentration were investigated on metal uptake by showing respective profiles. The maximum metal uptake was found to be 10.27 mg/g. To achieve this metal uptake, the optimum conditions were found to be 30 min as equilibrium agitation time, 4.6 as optimum pH, 60 ppm of initial solute concentration. Lead concentration is determined by atomic absorption spectrometer. The process was found to be well fitted for pseudo-second order kinetics.Keywords: biosorption, heavy metal ions, agitation time, metal uptake, aqueous solution
Procedia PDF Downloads 3705695 Assessment of Heavy Metal Contamination in Roadside Soils along Shenyang-Dalian Highway in Liaoning Province, China
Authors: Zhang Hui, Wu Caiqiu, Yuan Xuyin, Qiu Jie, Zhang Hanpei
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The heavy metal contaminations were determined with a detailed soil survey in roadside soils along Shenyang-Dalian Highway of Liaoning Province (China) and Pb, Cu, Cd, Ni and Zn were analyzed using the atomic absorption spectrophotometric method. The average concentration of Pb, Cu, Cd, Ni and Zn in roadside soils was determined to be 43.8, 26.5, 0.119, 32.1, 71.3 mg/kg respectively, and all of the heavy metal contents were higher than the background values. Different heavy metal distribution regularity was found in different land use type of roadside soil, there was an obvious peak of heavy concentration at 25m from road edge in the farmland, while in the forest and orchard soil, all heavy metals gradually decreased with the increase of distance from road edge and conformed to the exponential model. Furthermore, the heavy metal contents of heavy metals except Cd were markedly increased compared with those in 1999 and 2007, and the heavy metals concentrations of Shenyang- Dalian Highway were considered medium or low in comparison with those in other cities around the world. The assessment of heavy metal contamination of roadside soils illustrated a common low pollution for all heavy metal and recommended that more attention should be paid to Pb contamination in roadside soils in Shenyang-Dalian Highway.Keywords: heavy metal contamination, roadside, highway, Nemerow Pollution Index
Procedia PDF Downloads 2645694 Variability of Metal Composition and Concentrations in Road Dust in the Urban Environment
Authors: Sandya Mummullage, Prasanna Egodawatta, Ashantha Goonetilleke, Godwin A. Ayoko
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Urban road dust comprises of a range of potentially toxic metal elements and plays a critical role in degrading urban receiving water quality. Hence, assessing the metal composition and concentration in urban road dust is a high priority. This study investigated the variability of metal composition and concentrations in road dust in four different urban land uses in Gold Coast, Australia. Samples from 16 road sites were collected and tested for selected 12 metal species. The data set was analyzed using both univariate and multivariate techniques. Outcomes of the data analysis revealed that the metal concentrations inroad dust differs considerably within and between different land uses. Iron, aluminum, magnesium and zinc are the most abundant in urban land uses. It was also noted that metal species such as titanium, nickel, copper, and zinc have the highest concentrations in industrial land use. The study outcomes revealed that soil and traffic related sources as key sources of metals deposited on road surfaces.Keywords: metals build-up, pollutant accumulation, stormwater quality, urban road dust
Procedia PDF Downloads 2915693 Investigation of Doping of CdSe QDs in Organic Semiconductor for Solar Cell Applications
Authors: Ganesh R. Bhand, N. B. Chaure
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Cadmium selenide (CdSe) quantum dots (QDs) were prepared by solvothermal route. Subsequently a inorganic QDs-organic semiconductor (copper phthalocyanine) nanocomposite (i.e CuPc:CdSe nanocomposites) were produced by different concentration of QDs varied in CuPc. The nanocomposite thin films have been prepared by means of spin coating technique. The optical, structural and morphological properties of nanocomposite films have been investigated. The transmission electron microscopy (TEM) confirmed the formation of QDs having average size of 4 nm. The X-ray diffraction pattern exhibits cubic crystal structure of CdSe with reflection to (111), (220) and (311) at 25.4ᵒ, 42.2ᵒ and 49.6ᵒ respectively. The additional peak observed at lower angle at 6.9ᵒ in nanocomposite thin films are associated to CuPc. The field emission scanning electron microscopy (FESEM) observed that surface morphology varied in increasing concentration of CdSe QDs. The obtained nanocomposite show significant improvement in the thermal stability as compared to the pure CuPc indicated by thermo-gravimetric analysis (TGA) in thermograph. The effect in the Raman spectra of composites samples gives a confirm evidence of homogenous dispersion of CdSe in the CuPc matrix and their strong interaction between them to promotes charge transfer property. The success of reaction between composite was confirmed by Fourier transform infrared spectroscopy (FTIR). The photo physical properties were studied using UV - visible spectroscopy. The enhancement of the optical absorption in visible region for nanocomposite layer was observed with increasing the concentration of CdSe in CuPc. This composite may obtain the maximized interface between QDs and polymer for efficient charge separation and enhance the charge transport. Such nanocomposite films for potential application in fabrication of hybrid solar cell with improved power conversion efficiency.Keywords: CdSe QDs, cupper phthalocyanine, FTIR, optical absorption
Procedia PDF Downloads 1985692 Microbial Metabolites with Ability of Anti-Free Radicals
Authors: Yu Pu, Chien-Ping Hsiao, Chien-Chang Huang, Chieh-Lun Cheng
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Free radicals can accelerate aging on human skin by causing lipid oxidation, protein denaturation, and even DNA mutation. Substances with the ability of anti-free radicals can be used as functional components in cosmetic products. Research are attracted to develop new anti-free radical components for cosmetic application. This study was aimed to evaluate the microbial metabolites on free radical scavenging ability. Two microorganisms, PU-01 and PU-02, were isolated from soil of hot spring environment and grew in LB agar at 50°C for 24 h. The suspension was collected by centrifugation at 4800 g for 3 min, The anti-free radical activity was determined by DPPH (1,1-diphenyl-2-picrylhydrazyl) scavenging assay. The result showed that the growth medium of PU-01 presented a higher DPPH scavenging effect than that of PU-02. This study presented potential anti-free radical components from microbial metabolites that might be applied in anti-aging cosmetics.Keywords: anti-ageing, anti-free radical, biotechnology, microorganism
Procedia PDF Downloads 1635691 Establishment of a Test Bed for Integrated Map of Underground Space and Verification of GPR Exploration Equipment
Authors: Jisong Ryu, Woosik Lee, Yonggu Jang
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The paper discusses the process of establishing a reliable test bed for verifying the usability of Ground Penetrating Radar (GPR) exploration equipment based on an integrated underground spatial map in Korea. The aim of this study is to construct a test bed consisting of metal and non-metal pipelines to verify the performance of GPR equipment and improve the accuracy of the underground spatial integrated map. The study involved the design and construction of a test bed for metal and non-metal pipe detecting tests. The test bed was built in the SOC Demonstration Research Center (Yeoncheon) of the Korea Institute of Civil Engineering and Building Technology, burying metal and non-metal pipelines up to a depth of 5m. The test bed was designed in both vehicle-type and cart-type GPR-mounted equipment. The study collected data through the construction of the test bed and conducting metal and non-metal pipe detecting tests. The study analyzed the reliability of GPR detecting results by comparing them with the basic drawings, such as the underground space integrated map. The study contributes to the improvement of GPR equipment performance evaluation and the accuracy of the underground spatial integrated map, which is essential for urban planning and construction. The study addressed the question of how to verify the usability of GPR exploration equipment based on an integrated underground spatial map and improve its performance. The study found that the test bed is reliable for verifying the performance of GPR exploration equipment and accurately detecting metal and non-metal pipelines using an integrated underground spatial map. The study concludes that the establishment of a test bed for verifying the usability of GPR exploration equipment based on an integrated underground spatial map is essential. The proposed Korean-style test bed can be used for the evaluation of GPR equipment performance and support the construction of a national non-metal pipeline exploration equipment performance evaluation center in Korea.Keywords: Korea-style GPR testbed, GPR, metal pipe detecting, non-metal pipe detecting
Procedia PDF Downloads 995690 Efficacy of Pisum sativum and Arbuscular Mycorrhizal Symbiosis for Phytoextraction of Heavy Metalloids from Soil
Authors: Ritu Chaturvedi, Manoj Paul
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A pot experiment was conducted to investigate the effect of Arbuscular mycorrhizal fungus (AMF) on metal(loid) uptake and accumulation efficiency of Pisum sativum along with physiological and biochemical response. Plants were grown in soil spiked with 50 and 100 mg kg-1 Pb, 25 and 50 mg kg-1 Cd, 50 and 100 mg kg-1 As and a combination of all three metal(loid)s. A parallel set was maintained and inoculated with arbuscular mycorrhizal fungus for comparison. After 60 days, plants were harvested and analysed for metal(loid) content. A steady increase in metal(loid) accumulation was observed on increment of metal(loid) dose and also on AMF inoculation. Plant height, biomass, chlorophyll, carotenoid and carbohydrate content reduced upon metal(loid) exposure. Increase in enzymatic (CAT, SOD and APX) and nonenzymatic (Proline) defence proteins was observed on metal(loid) exposure. AMF inoculation leads to an increase in plant height, biomass, chlorophyll, carotenoids, carbohydrate and enzymatic defence proteins (p≤0.001) under study; whereas proline content was reduced. Considering the accumulation efficiency and adaptive response of plants and alleviation of stress by AMF, this symbiosis can be applied for on-site remediation of Pb and Cd contaminated soil.Keywords: heavy metal, mycorrhiza, pea, phyroremediation
Procedia PDF Downloads 232