Search results for: geometry and composition of tu
2290 Molecular Electrostatic Potential in Z-3N(2-Ethoxyphenyl), 2-N'(2-Ethoxyphenyl) Imino Thiazolidin-4-one Molecule by Ab Initio and DFT Methods
Authors: Manel Boulakoud, Abdelkader Chouaih, Fodil Hamzaoui
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In the present work we are interested in the determination of the Molecular electrostatic potential (MEP) in Z-3N(2-Ethoxyphenyl), 2-N’(2-Ethoxyphenyl) imino thiazolidin-4-one molecule by ab initio and Density Functional Theory (DFT) in the ground state. The MEP is related to the electronic density and is a very useful descriptor in understanding sites for electrophilic attack and nucleophilic reactions as well as hydrogen bonding interactions. First, geometry optimization was carried out using Hartree–Fock (HF) and DFT methods with 6-311G(d,p) basis set. In order to get more information on the molecule, its stability has been analyzed by natural bond orbital (NBO) analysis. Mulliken population analyses have been calculated. Finally, the molecular electrostatic potential (MEP) and HOMO-LUMO energy levels have been performed. The calculated HOMO and LUMO energies show also the charge transfer within the molecule. The energy gap obtained is about 4 eV which explain the stability of the studied compound. The obtained molecular electrostatic potential from the two methods confirms the nature of the electron charge transfer at the molecular shell and locate the electropositive part and the electronegative part in molecular scale of the title compound.Keywords: DFT, ab initio, HOMO-LUMO, organic compounds
Procedia PDF Downloads 5342289 A New Approach to Achieve the Regime Equations in Sand-Bed Rivers
Authors: Farhad Imanshoar
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The regime or equilibrium geometry of alluvial rivers remains a topic of fundamental scientific and engineering interest. There are several approaches to analyze the problem, namely: empirical formulas, semi-theoretical methods and rational (extreme) procedures. However, none of them is widely accepted at present, due to lack of knowledge of some physical processes associated with channel formation and the simplification hypotheses imposed in order to reduce the high quantity of involved variables. The study presented in this paper shows a new approach to estimate stable width and depth of sand-bed rivers by using developed stream power equation (DSPE). At first, a new procedure based on theoretical analysis and by considering DSPE and ultimate sediment concentration were developed. Then, experimental data for regime condition in sand-bed rivers (flow depth, flow width, sediment feed rate for several cases) were gathered. Finally, the results of this research (regime equations) are compared with the field data and other regime equations. A good agreement was observed between the field data and the values resulted from developed regime equation.Keywords: regime equations, developed stream power equation, sand-bed rivers, semi-theoretical methods
Procedia PDF Downloads 2672288 Fabrication of Highly Roughened Zirconia Surface by a Room Temperature Spray Coating
Authors: Hyeong-Jin Kim, Jong Kook Lee
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Zirconia has biological, mechanical and optical properties, so, it used as a dental implant material in human body. But, it is difficult to form directly bonding with living tissues after the procedure and induces the falling away from implanted parts of the body. To improve this phenomenon, it is essential to increase the surface roughness of zirconia implants and induce a forming-ability of strong bonds. In this study, we performed a room temperature spray coating on zirconia specimen to obtain a highly roughened zirconia surface. To get optimal surface roughness, we controlled the distance between the nozzle and the substrate, coating times and powder condition. Bonding microstructure, surface roughness, and chemical composition of the coating layer were observed by SEM, XRD and roughness tester.Keywords: implant, aerosoldeposition, zirconia, dental
Procedia PDF Downloads 2092287 Raman Spectroscopy Analysis of MnTiO₃-TiO₂ Eutectic
Authors: Adrian Niewiadomski, Barbara Surma, Katarzyna Kolodziejak, Dorota A. Pawlak
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Oxide-oxide eutectic is attracting increasing interest of scientific community because of their unique properties and numerous potential applications. Some of the most interesting examples of applications are metamaterials, glucose sensors, photoactive materials, thermoelectric materials, and photocatalysts. Their unique properties result from the fact that composite materials consist of two or more phases. As a result, these materials have additive and product properties. Additive properties originate from particular phases while product properties originate from the interaction between phases. MnTiO3-TiO2 eutectic is one of such materials. TiO2 is a well-known semiconductor, and it is used as a photocatalyst. Moreover, it may be used to produce solar cells, in a gas sensing devices and in electrochemistry. MnTiO3 is a semiconductor and antiferromagnetic. Therefore it has potential application in integrated circuits devices, and as a gas and humidity sensor, in non-linear optics and as a visible-light activated photocatalyst. The above facts indicate that eutectic MnTiO3-TiO2 constitutes an extremely promising material that should be studied. Despite that Raman spectroscopy is a powerful method to characterize materials, to our knowledge Raman studies of eutectics are very limited, and there are no studies of the MnTiO3-TiO2 eutectic. While to our knowledge the papers regarding this material are scarce. The MnTiO3-TiO2 eutectic, as well as TiO2 and MnTiO3 single crystals, were grown by the micro-pulling-down method at the Institute of Electronic Materials Technology in Warsaw, Poland. A nitrogen atmosphere was maintained during whole crystal growth process. The as-grown samples of MnTiO3-TiO2 eutectic, as well as TiO2 and MnTiO3 single crystals, are black and opaque. Samples were cut perpendicular to the growth direction. Cross sections were examined with scanning electron microscopy (SEM) and with Raman spectroscopy. The present studies showed that maintaining nitrogen atmosphere during crystal growth process may result in obtaining black TiO2 crystals. SEM and Raman experiments showed that studied eutectic consists of three distinct regions. Furthermore, two of these regions correspond with MnTiO3, while the third region corresponds with the TiO2-xNx phase. Raman studies pointed out that TiO2-xNx phase crystallizes in rutile structure. The studies show that Raman experiments may be successfully used to characterize eutectic materials. The MnTiO3-TiO2 eutectic was grown by the micro-pulling-down method. SEM and micro-Raman experiments were used to establish phase composition of studied eutectic. The studies revealed that the TiO2 phase had been doped with nitrogen. Therefore the TiO2 phase is, in fact, a solid solution with TiO2-xNx composition. The remaining two phases exhibit Raman lines of both rutile TiO2 and MnTiO3. This points out to some kind of coexistence of these phases in studied eutectic.Keywords: compound materials, eutectic growth and characterization, Raman spectroscopy, rutile TiO₂
Procedia PDF Downloads 1932286 XANES Studies on the Oxidation States of Copper Ion in Silicate Glass
Authors: R. Buntem, K. Samkongngam
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The silicate glass was prepared using rice husk as the source of silica. The base composition of glass sample is composed of SiO2 (from rice husk ash), Na2CO3, K2CO3, ZnO, H3BO3, CaO, Al2O3 or Al, and CuO. Aluminum is used in place of Al2O3 in order to reduce Cu2+ to Cu+. The red color of Cu2O in the glass matrix was observed when the Al was added into the glass mixture. The expansion coefficients of the copper doped glass are in the range of 1.2 x 10-5-1.4x10-5 (ºC -1) which is common for the silicate glass. The finger prints of the bond vibrations were studied using IR spectroscopy. While the oxidation state and the coordination information of the copper ion in the glass matrix were investigated using X-ray absorption spectroscopy. From the data, Cu+ and Cu2+ exist in the glass matrix. The red particles of Cu2O can be formed in the glass matrix when enough aluminum was added.Keywords: copper in glass, coordination information, silicate glass, XANES spectrum
Procedia PDF Downloads 2612285 Genetic Variations of Two Casein Genes among Maghrabi Camels Reared in Egypt
Authors: Othman E. Othman, Amira M. Nowier, Medhat El-Denary
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Camels play an important socio-economic role within the pastoral and agricultural system in the dry and semidry zones of Asia and Africa. Camels are economically important animals in Egypt where they are dual purpose animals (meat and milk). The analysis of chemical composition of camel milk showed that the total protein contents ranged from 2.4% to 5.3% and it is divided into casein and whey proteins. The casein fraction constitutes 52% to 89% of total camel milk protein and it divided into 4 fractions namely αs1, αs2, β and κ-caseins which are encoded by four tightly genes. In spite of the important role of casein genes and the effects of their genetic polymorphisms on quantitative traits and technological properties of milk, the studies for the detection of genetic polymorphism of camel milk genes are still limited. Due to this fact, this work focused - using PCR-RFP and sequencing analysis - on the identification of genetic polymorphisms and SNPs of two casein genes in Maghrabi camel breed which is a dual purpose camel breed in Egypt. The amplified fragments at 488-bp of the camel κ-CN gene were digested with AluI endonuclease. The results showed the appearance of three different genotypes in the tested animals; CC with three digested fragments at 203-, 127- and 120-bp, TT with three digested fragments at 203-, 158- and 127-bp and CT with four digested fragments at 203-, 158-, 127- and 120-bp. The frequencies of three detected genotypes were 11.0% for CC, 48.0% for TT and 41.0% for CT genotypes. The sequencing analysis of the two different alleles declared the presence of a single nucleotide polymorphism (C→T) at position 121 in the amplified fragments which is responsible for the destruction of a restriction site (AG/CT) in allele T and resulted in the presence of two different alleles C and T in tested animals. The nucleotide sequences of κ-CN alleles C and T were submitted to GenBank with the accession numbers; KU055605 and KU055606, respectively. The primers used in this study amplified 942-bp fragments spanning from exon 4 to exon 6 of camel αS1-Casein gene. The amplified fragments were digested with two different restriction enzymes; SmlI and AluI. The results of SmlI digestion did not show any restriction site whereas the digestion with AluI endonuclease revealed the presence of two restriction sites AG^CT at positions 68^69 and 631^632 yielding the presence of three digested fragments with sizes 68-, 563- and 293-bp.The nucleotide sequences of this fragment from camel αS1-Casein gene were submitted to GenBank with the accession number KU145820. In conclusion, the genetic characterization of quantitative traits genes which are associated with the production traits like milk yield and composition is considered an important step towards the genetic improvement of livestock species through the selection of superior animals depending on the favorable alleles and genotypes; marker assisted selection (MAS).Keywords: genetic polymorphism, SNP polymorphism, Maghrabi camels, κ-Casein gene, αS1-Casein gene
Procedia PDF Downloads 6102284 Application of Response Surface Methodology to Assess the Impact of Aqueous and Particulate Phosphorous on Diazotrophic and Non-Diazotrophic Cyanobacteria Associated with Harmful Algal Blooms
Authors: Elizabeth Crafton, Donald Ott, Teresa Cutright
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Harmful algal blooms (HABs), more notably cyanobacteria-dominated HABs, compromise water quality, jeopardize access to drinking water and are a risk to public health and safety. HABs are representative of ecosystem imbalance largely caused by environmental changes, such as eutrophication, that are associated with the globally expanding human population. Cyanobacteria-dominated HABs are anticipated to increase in frequency, magnitude, and are predicted to plague a larger geographical area as a result of climate change. The weather pattern is important as storm-driven, pulse-input of nutrients have been correlated to cyanobacteria-dominated HABs. The mobilization of aqueous and particulate nutrients and the response of the phytoplankton community is an important relationship in this complex phenomenon. This relationship is most apparent in high-impact areas of adequate sunlight, > 20ᵒC, excessive nutrients and quiescent water that corresponds to ideal growth of HABs. Typically the impact of particulate phosphorus is dismissed as an insignificant contribution; which is true for areas that are not considered high-impact. The objective of this study was to assess the impact of a simulated storm-driven, pulse-input of reactive phosphorus and the response of three different cyanobacteria assemblages (~5,000 cells/mL). The aqueous and particulate sources of phosphorus and changes in HAB were tracked weekly for 4 weeks. The first cyanobacteria composition consisted of Planktothrix sp., Microcystis sp., Aphanizomenon sp., and Anabaena sp., with 70% of the total population being non-diazotrophic and 30% being diazotrophic. The second was comprised of Anabaena sp., Planktothrix sp., and Microcystis sp., with 87% diazotrophic and 13% non-diazotrophic. The third composition has yet to be determined as these experiments are ongoing. Preliminary results suggest that both aqueous and particulate sources are contributors of total reactive phosphorus in high-impact areas. The results further highlight shifts in the cyanobacteria assemblage after the simulated pulse-input. In the controls, the reactors dosed with aqueous reactive phosphorus maintained a constant concentration for the duration of the experiment; whereas, the reactors that were dosed with aqueous reactive phosphorus and contained soil decreased from 1.73 mg/L to 0.25 mg/L of reactive phosphorus from time zero to 7 days; this was higher than the blank (0.11 mg/L). Suggesting a binding of aqueous reactive phosphorus to sediment, which is further supported by the positive correlation observed between total reactive phosphorus concentration and turbidity. The experiments are nearly completed and a full statistical analysis will be completed of the results prior to the conference.Keywords: Anabaena, cyanobacteria, harmful algal blooms, Microcystis, phosphorous, response surface methodology
Procedia PDF Downloads 1652283 Characterization of Sintered Fe-Cr-Mn Powder Mixtures Containing Intermetallics
Authors: A. Yonetken, A. Erol, M. Cakmakkaya
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Intermetallic materials are among advanced technology materials that have outstanding mechanical and physical properties for high temperature applications. Especially creep resistance, low density and high hardness properties stand out in such intermetallics. The microstructure, mechanical properties of %88Ni-%10Cr and %2Mn powders were investigated using specimens produced by tube furnace sintering at 900-1300°C temperature. A composite consisting of ternary additions, a metallic phase, Fe ,Cr and Mn have been prepared under Ar shroud and then tube furnace sintered. XRD, SEM (Scanning Electron Microscope), were investigated to characterize the properties of the specimens. Experimental results carried out for composition %88Ni-%10Cr and %2Mn at 1300°C suggest that the best properties as 138,80HV and 6,269/cm3 density were obtained at 1300°C.Keywords: composite, high temperature, intermetallic, sintering
Procedia PDF Downloads 4062282 Effect of Synthesis Method on Structural, Morphological Properties of Zr0.8Y0.2-xLax Oxides (x=0, 0.1, 0.2)
Authors: Abdelaziz Ghrib, Samir Hattali, Mouloud Ghrib, Mohamed Lamine Aouissia, David Ruch
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In the present study, the solid solutions with a chemical composition of Zr0.8Y0.2-xLaxO2 (x=0, 0.1, 0.2) were synthesized via two routes, by hydrothermal method using NaOH as precipitating agent at 230°C for 15h and by the sol–gel process using citric acid as complexing agent. Compounds have been characterized by powder X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Thermo gravimetric Analysis (TGA) and Differential Thermal Analysis (DTA) techniques for appropriate characterization of the distinct thermal events occurring during synthesis. All the compounds crystallize in cubic fluorite structure, as indicated by X-ray diffraction studie. The microstructure of oxides synthesized by sol-gel showed porosity that increased with the lanthanum La3+ contents compared to hydrothermal method which gives a single crystal oxide.Keywords: oxide, hydrothermal, rare earth, solubility, sol-gel, ternary mixture
Procedia PDF Downloads 6382281 Stimuli Responsives of Crosslinked Poly on 2-HydroxyEthyl MethAcrylate – Optimization of Parameters by Experimental Design
Authors: Tewfik Bouchaour, Salah Hamri, Yasmina Houda Bendahma, Ulrich Maschke
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Stimuli-responsive materials based on UV crosslinked acrylic polymer networks are fabricated. A various kinds of polymeric systems, hydrophilic polymers based on 2-Hydroxyethyl methacrylate have been widely studied because of their ability to simulate biological tissues, which leads to many applications. The acrylic polymer network PHEMA developed by UV photopolymerization has been used for dye retention. For these so-called smart materials, the properties change in response to an external stimulus. In this contribution, we report the influence of some parameters (initial composition, temperature, and nature of components) in the properties of final materials. Optimization of different parameters is examined by experimental design.Keywords: UV photo-polymerization, PHEMA, external stimulus, optimization
Procedia PDF Downloads 2552280 Production of High-Content Fructo-Oligosaccharides
Authors: C. Nobre, C. C. Castro, A.-L. Hantson, J. A. Teixeira, L. R. Rodrigues, G. De Weireld
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Fructo-oligosaccharides (FOS) are produced from sucrose by Aureobasidium pullulans in yields between 40-60% (w/w). To increase the amount of FOS it is necessary to remove the small, non-prebiotic sugars, present. Two methods for producing high-purity FOS have been developed: the use of microorganisms able to consume small saccharides; and the use of continuous chromatography to separate sugars: simulated moving bed (SMB). It is herein proposed the combination of both methods. The aim of this study is to optimize the composition of the fermentative broth (in terms of salts and sugars) that will be further purified by SMB. A yield of 0.63 gFOS.g Sucrose-1 was obtained with A. pullulans using low amounts of salts in the initial fermentative broth. By removing the small sugars, Saccharomyces cerevisiae and Zymomonas mobilis increased the percentage of FOS from around 56.0% to 83% (w/w) in average, losing only 10% (w/w) of FOS during the recovery process.Keywords: fructo-oligosaccharides, microbial treatment, Saccharomyces cerevisiae, Zymomonas mobilis
Procedia PDF Downloads 3062279 Ambidentate Ligands as Platforms for Efficient Synthesis of Pd-based Metallosupramolecular Cages
Authors: Wojcieh Drożdż, Artur R. Stefankiewicz
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Ambidentate ligands can be described as organic structures possessing two different types of coordination units within a single molecule. These features enable the coordination of two different metal ions, which can directly affect the properties of obtained complexes as well as further application. In the current research, we focused on a β-diketone ligand containing terminally located pyridine units in order to assemble cage-like architectures. This will be possible due to the peculiar geometry of the proposed ligands, called "banana-shape", widely used in the synthesis of sophisticated metallosupramolecular architectures. Each of the coordination units plays an important role in cage assembly. Pyridine units enable the coordination of square-planar metal ions (Pd²⁺, Pt²⁺), forming a positively charged cage. On the other hand, the β-diketone group provides the possibility of post-modification, including the introduction of additional functional groups with specific properties (sensing, catalytic, etc.). Such obtained cages are of great interest due to their application potential, including storage or transport of guest molecules, selective detection/separation of analytes as well as efficient catalytic processes.Keywords: metalloligands, coordination cages, nanoreactors, β-diketonate complexes
Procedia PDF Downloads 712278 Preparation and Characterization of Copper-Nanoparticle on Extracted Carrageenan and Its Catalytic Activity for Reducing Aromatic Nitro Group
Authors: Vida Jodaeian, Behzad Sani
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Copper nanoparticles were successfully synthesized and characterized on green-extracted Carrageenan from seaweed by precipitation method without using any supporter and template with precipitation method. The crystallinity, optical properties, morphology, and composition of products were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), and Fourier transforms infrared (FT-IR) spectroscopy. The effects of processing parameters on the size and shape of Cu- nanostructures such as effect of pH were investigated. It is found that the reaction at lower pH values (acidic) could not be completed and pH = 8.00 was the best pH value to prepare very fine nanoparticles. They as synthesized Cu-nanoparticles were used as catalysts for the reduction of aromatic nitro compounds in presence of NaBH4. The results showed that Cu-nanoparticles are very active for reduction of these nitro aromatic compounds.Keywords: nanoparticles, carrageenan, seaweed, nitro aromatic compound
Procedia PDF Downloads 3972277 Synthesis, Investigation, DFT Study and Biologically Activity of Zirconium (IV) Complexes with Diammie Complexes
Authors: Salem El Ashoor, Fathia M. El-Meheishi, Ibtisam M. Diab
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Zirconium diammin and triammin complexes can be possess biological activities, these complexes were synthesized via the reaction equimolar quantity of (1:10-phenanthroline){NC3H3(C6H2)NC3H3} (L1) or 4-4-amino phenazone {ONC6H5(NH)CH(NH2} (L2) or diphenyl carbizon {HNNCO(NH)2(C6H5)} (L3) with Zirconium Salt {ZrOCl2} in ratio (1:1) to form complexes [{NC3H3(C6H2)NC3H3}ZrOCl2}] [ZrOCl2L1], [{(O2NC6H4(NH)(NH2)}ZrOCl2] [ZrOCl2L2] and [{HNNCO(NH)2(C6H5)ZrOCl2}] [ZrOCl2L3] respectively. The characterization of these complexes were follow by using Fourier Transform Infrared (FT-IR) and UV-Visible spectroscopy. Also a variable temperature study of these complexes has been followed by using UV-Visible spectroscopy to follow electronic transform behaviors under temperature control also DFT study calculation was follow these complexes via the information from FT-IR and UV-Visible spectroscopy. A coordination number of these complexes of types five and six of the geometry can be suggested. These complexes were found to shown deferent inhibition to the growth of bacterial strains of Bacillus spp & Klebsiella spp & E.coli & proteus spp & pseudomona spp) while all complexes were in deferent's concentration (0.001, 0.2 and 1M) and the result as evidenced from the presence. For better understanding these complexes were examined by using Density functional theory (DFT) calculation.Keywords: (1:10-phenanthroline) (L1), 4-4-amino phenazone (L2), diphenyl carbizon (L3), DFT study, antibacterial
Procedia PDF Downloads 4142276 Concentrations and History of Heavy Metals in Sediment Cores: Geochemistry and Geochronology Using 210Pb
Authors: F. Fernandes, C. Poleto
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This paper aims at assessing the concentrations of heavy metals and the isotopic composition of lead 210Pb in different fractions of sediment produced in the watershed that makes up the Mãe d'água dam and thus characterizing the distribution of metals along the sedimentary column and inferencing in the urbanization of the same process. Sample collection was carried out in June 2014; eight sediment cores were sampled in the lake of the dam. For extraction of the sediments core, a core sampler “Piston Core” was used. The trace metal concentrations were determined by conventional atomic absorption spectrophotometric methods. The samples were subjected to radiochemical analysis of 210Po. 210Pb activity was obtained by measuring 210Po activity. The chronology was calculated using the constant rate of supply (CRS). 210Pb is used to estimate the sedimentation rate.Keywords: ²¹⁰Pb dating method, heavy metal, lakes urban, pollution history
Procedia PDF Downloads 2972275 Deasphalting of Crude Oil by Extraction Method
Authors: A. N. Kurbanova, G. K. Sugurbekova, N. K. Akhmetov
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The asphaltenes are heavy fraction of crude oil. Asphaltenes on oilfield is known for its ability to plug wells, surface equipment and pores of the geologic formations. The present research is devoted to the deasphalting of crude oil as the initial stage refining oil. Solvent deasphalting was conducted by extraction with organic solvents (cyclohexane, carbon tetrachloride, chloroform). Analysis of availability of metals was conducted by ICP-MS and spectral feature at deasphalting was achieved by FTIR. High contents of asphaltenes in crude oil reduce the efficiency of refining processes. Moreover, high distribution heteroatoms (e.g., S, N) were also suggested in asphaltenes cause some problems: environmental pollution, corrosion and poisoning of the catalyst. The main objective of this work is to study the effect of deasphalting process crude oil to improve its properties and improving the efficiency of recycling processes. Experiments of solvent extraction are using organic solvents held in the crude oil JSC “Pavlodar Oil Chemistry Refinery. Experimental results show that deasphalting process also leads to decrease Ni, V in the composition of the oil. One solution to the problem of cleaning oils from metals, hydrogen sulfide and mercaptan is absorption with chemical reagents directly in oil residue and production due to the fact that asphalt and resinous substance degrade operational properties of oils and reduce the effectiveness of selective refining of oils. Deasphalting of crude oil is necessary to separate the light fraction from heavy metallic asphaltenes part of crude oil. For this oil is pretreated deasphalting, because asphaltenes tend to form coke or consume large quantities of hydrogen. Removing asphaltenes leads to partly demetallization, i.e. for removal of asphaltenes V/Ni and organic compounds with heteroatoms. Intramolecular complexes are relatively well researched on the example of porphyinous complex (VO2) and nickel (Ni). As a result of studies of V/Ni by ICP MS method were determined the effect of different solvents-deasphalting – on the process of extracting metals on deasphalting stage and select the best organic solvent. Thus, as the best DAO proved cyclohexane (C6H12), which as a result of ICP MS retrieves V-51.2%, Ni-66.4%? Also in this paper presents the results of a study of physical and chemical properties and spectral characteristics of oil on FTIR with a view to establishing its hydrocarbon composition. Obtained by using IR-spectroscopy method information about the specifics of the whole oil give provisional physical, chemical characteristics. They can be useful in the consideration of issues of origin and geochemical conditions of accumulation of oil, as well as some technological challenges. Systematic analysis carried out in this study; improve our understanding of the stability mechanism of asphaltenes. The role of deasphalted crude oil fractions on the stability asphaltene is described.Keywords: asphaltenes, deasphalting, extraction, vanadium, nickel, metalloporphyrins, ICP-MS, IR spectroscopy
Procedia PDF Downloads 2412274 Evaluation of the Impact of Pavement Roughness on Vehicle Emissions by HDM-4
Authors: Muhammad Azhar, Arshad Hussain
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Vehicular emissions have increased in recent years due to rapid growth in world traffic resulting in an increase in associated problems such as air pollution and climate change, therefore it’s necessary to control vehicle emissions. This study looks at the effect of road maintenance on vehicle emissions. The Highway Development and Management Tool (HDM-4) was used to find the effect of road maintenance on vehicle emissions. Key data collected were traffic volume and composition, vehicle characteristics, pavement characteristics and climate data of the study area. Two options were analysed using the HDM-4 software; the base case or do nothing while the second is overlay maintenance. The study also showed a strong correlation between average roughness and yearly emission levels in both the alternatives. Finally, the study showed that proper maintenance reduces the roughness and emissions.Keywords: vehicle emissions, road roughness, IRI, maintenance, HDM-4, CO2
Procedia PDF Downloads 2632273 Numerical Design and Characterization of MOVPE Grown Nitride Based Semiconductors
Authors: J. Skibinski, P. Caban, T. Wejrzanowski, K. J. Kurzydlowski
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In the present study numerical simulations of epitaxial growth of gallium nitride in Metal Organic Vapor Phase Epitaxy reactor AIX-200/4RF-S are addressed. The aim of this study was to design the optimal fluid flow and thermal conditions for obtaining the most homogeneous product. Since there are many agents influencing reactions on the crystal growth area such as temperature, pressure, gas flow or reactor geometry, it is difficult to design optimal process. Variations of process pressure and hydrogen mass flow rates have been considered. According to the fact that it’s impossible to determine experimentally the exact distribution of heat and mass transfer inside the reactor during crystal growth, detailed 3D modeling has been used to get an insight of the process conditions. Numerical simulations allow to understand the epitaxial process by calculation of heat and mass transfer distribution during growth of gallium nitride. Including chemical reactions in the numerical model allows to calculate the growth rate of the substrate. The present approach has been applied to enhance the performance of AIX-200/4RF-S reactor.Keywords: computational fluid dynamics, finite volume method, epitaxial growth, gallium nitride
Procedia PDF Downloads 4522272 Aeroelastic Analysis of Engine Nacelle Strake Considering Geometric Nonlinear Behavior
Authors: N. Manoj
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The aeroelastic behavior of engine nacelle strake when subjected to unsteady aerodynamic flows is investigated in this paper. Geometric nonlinear characteristics and modal parameters of nacelle strake are studied when it is under dynamic loading condition. Here, an N-S based Finite Volume solver is coupled with Finite Element (FE) based nonlinear structural solver to investigate the nonlinear characteristics of nacelle strake over a range of dynamic pressures at various phases of flight like takeoff, climb, and cruise conditions. The combination of high fidelity models for both aerodynamics and structural dynamics is used to predict the nonlinearities of strake (chine). The methodology adopted for present aeroelastic analysis is partitioned-based time domain coupled CFD and CSD solvers and it is validated by the consideration of experimental and numerical comparison of aeroelastic data for a cropped delta wing model which has a proven record. The present strake geometry is derived from theoretical formulation. The amplitude and frequency obtained from the coupled solver at various dynamic pressures is discussed, which gives a better understanding of its impact on aerodynamic design-sizing of strake.Keywords: aeroelasticity, finite volume, geometric nonlinearity, limit cycle oscillations, strake
Procedia PDF Downloads 2832271 Computational Analysis of the Scaling Effects on the Performance of an Axial Compressor
Authors: Junting Xiang, Jörg Uwe Schlüter, Fei Duan
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The miniaturization of gas turbines promises many advantages. Miniature gas turbines can be used for local power generation or the propulsion of small aircraft, such as UAV and MAV. However, experience shows that the miniaturization of conventional gas turbines, which are optimized at their current large size, leads to a substantial loss of efficiency and performance at smaller scales. This may be due to a number of factors, such as the Reynolds-number effect, the increased heat transfer, and manufacturing tolerances. In the present work, we focus on computational investigations of the Reynolds number effect and the wall heat transfer on the performance of axial compressor during its size change. The NASA stage 35 compressors are selected as the configuration in this study and Computational Fluid Dynamics (CFD) is used to carry out the miniaturization process and simulations. We perform parameter studies on the effect of Reynolds number and wall thermal conditions. Our results indicate a decrease of efficiency, if the compressor is miniaturized based on its original geometry due to the increase of viscous effects. The increased heat transfer through wall has only a small effect and will actually benefit compressor performance based on our study.Keywords: axial compressor, CFD, heat transfer, miniature gas turbines, Reynolds number
Procedia PDF Downloads 4142270 Whole Body Cooling Hypothermia Treatment Modelling Using a Finite Element Thermoregulation Model
Authors: Ana Beatriz C. G. Silva, Luiz Carlos Wrobel, Fernando Luiz B. Ribeiro
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This paper presents a thermoregulation model using the finite element method to perform numerical analyses of brain cooling procedures as a contribution to the investigation on the use of therapeutic hypothermia after ischemia in adults. The use of computational methods can aid clinicians to observe body temperature using different cooling methods without the need of invasive techniques, and can thus be a valuable tool to assist clinical trials simulating different cooling options that can be used for treatment. In this work, we developed a FEM package applied to the solution of the continuum bioheat Pennes equation. Blood temperature changes were considered using a blood pool approach and a lumped analysis for intravascular catheter method of blood cooling. Some analyses are performed using a three-dimensional mesh based on a complex geometry obtained from computed tomography medical images, considering a cooling blanket and a intravascular catheter. A comparison is made between the results obtained and the effects of each case in brain temperature reduction in a required time, maintenance of body temperature at moderate hypothermia levels and gradual rewarming.Keywords: brain cooling, finite element method, hypothermia treatment, thermoregulation
Procedia PDF Downloads 3102269 Friction Behavior of Wood-Plastic Composites against Uncoated Cemented Carbide
Authors: Almontas Vilutis, Vytenis Jankauskas
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The paper presents the results of the investigation of the dry sliding friction of wood-plastic composites (WPCs) against WC-Co cemented carbide. The dependence of the dynamic coefficient of friction on the main influencing factors (vertical load, temperature, and sliding distance) was investigated by evaluating their mutual interaction. Multiple regression analysis showed a high polynomial dependence (adjusted R2 > 0.98). The resistance of the composite to thermo-mechanical effects determines how temperature and force factors affect the magnitude of the coefficient of friction. WPC-B composite has the lowest friction and highest resistance compared to WPC-A, while composite and cemented carbide materials wear the least. Energy dispersive spectroscopy (EDS), based on elemental composition, provided important insights into the friction process.Keywords: friction, composite, carbide, factors
Procedia PDF Downloads 822268 In vitro Antioxidant, Anti-Diabetic and Nutritional Properties of Breynia retusa
Authors: Parimelazhagan Thangaraj
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Natural products serves human kind as a source of all drugs and higher plants provide most of these therapeutic agents. These products are widely recognized in the pharmaceutical industry for their broad structural diversity as well as their wide range of pharmacological activities. Euphorbiaceae is one of the important families with significant pharmacological activities, of which many species has been used traditionally for the treatment of various ailments. Breynia retusa belongs to the family Euphorbiaceae is used to cure ailments like body pain, skin inflammation, hyperglycaemia, diarrhoea, dysentery and toothache. Flowers and young leaves of B. retusa are cooked and eaten, roots are used for meningitis. The juice of the stem is used in conjunctivtis and leaves as poultice to hasten suppuration. Based on the strong evidences of traditional uses of Breynia retusa, the present study was focused on neutraceuticals evaluation of the species with special reference to oxidative stress and diabetes. Both leaves and stem of B. retusa were extracted with different solvents and analyzed for radical scavenging ability wherein ABTS.+ (8396.95±1529.01 µM TEAC/g extract), phosphomolybdenum (17.34±0.08 g AAE/100 g extract) and FRAP (6075.66±414.28 µM Fe (II) E/mg extract) assays showed good radical scavenging activity in stem. Furthermore, leaf extracts showed good radical inhibition in DPPH (2.4 µg/mL), metal ion (27.44±0.09 mg EDTAE/g extract) scavenging methods. The α-amylase and α-glucosidase inhibitors are currently used for diabetic treatment as oral hypoglycemic agents. The inhibitory effects of the B. retusa leaf and stem ethyl acetate extracts showed good inhibition on α-amylase (96.25% and 95.69 respectively) and α-glucosidase (54.50% and 50.87% respectively) enzymes compared to standard acarbose. The proximate composition analysis of B. retusa leaves contains higher amount of total carbohydrates (14.08 g Glucose equivalents/100 g sample), ash (19.04 %) and crude fibre (0.52 %). The examination of mineral profile explored that the leaves was rich in calcium (1891 ppm), sulphur (1406 ppm), copper (2600 ppm) and magnesium (778 ppm). Leaves sample revealed very minimal amount of anti-nutrient contents like trypsin (14.08±0.03 TIU/mg protein) and tannin (0.011±0.001 mg TAE/g sample). The low anti nutritional factors may not pose any serious nutritional problems when these leaves are consumed. In conclusion, it is very clear that dietary compounds from B. retusa are suitable and promising for the development of safe food products and natural additives. Based on the studies, it may be concluded that nutritional composition, antioxidant and anti-diabetic activities this species can be used as future therapeutic medicine.Keywords: Breynia retusa, nutraceuticals, antioxidant, anti diabetic
Procedia PDF Downloads 3312267 Topology Optimization of Composite Structures with Material Nonlinearity
Authors: Mengxiao Li, Johnson Zhang
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Currently, topology optimization technique is widely used to define the layout design of structures that are presented as truss-like topologies. However, due to the difficulty in combining optimization technique with more realistic material models where their nonlinear properties should be considered, the achieved optimized topologies are commonly unable to apply straight towards the practical design problems. This study presented an optimization procedure of composite structures where different elastic stiffness, yield criteria, and hardening models are assumed for the candidate materials. From the results, it can be concluded that a more explicit modeling has the significant influence on the resulting topologies. Also, the isotropic or kinematic hardening is important for elastoplastic structural optimization design. The capability of the proposed optimization procedure is shown through several cases.Keywords: topology optimization, material composition, nonlinear modeling, hardening rules
Procedia PDF Downloads 4802266 Improving the Frequency Response of a Circular Dual-Mode Resonator with a Reconfigurable Bandwidth
Authors: Muhammad Haitham Albahnassi, Adnan Malki, Shokri Almekdad
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In this paper, a method for reconfiguring bandwidth in a circular dual-mode resonator is presented. The method concerns the optimized geometry of a structure that may be used to host the tuning elements, which are typically RF (Radio Frequency) switches. The tuning elements themselves, and their performance during tuning, are not the focus of this paper. The designed resonator is able to reconfigure its fractional bandwidth by adjusting the inter-coupling level between the degenerate modes, while at the same time improving its response by adjusting the external-coupling level and keeping the center frequency fixed. The inter-coupling level has been adjusted by changing the dimensions of the perturbation element, while the external-coupling level has been adjusted by changing one of the feeder dimensions. The design was arrived at via optimization. Agreeing simulation and measurement results of the designed and implemented filters showed good improvements in return loss values and the stability of the center frequency.Keywords: dual-mode resonators, perturbation theory, reconfigurable filters, software defined radio, cognitine radio
Procedia PDF Downloads 1662265 Analysis of Traffic Crashes on Rural Roads in Oman
Authors: Mohammed Bakhit Kashoob, Mohammed Salim Al-Maashani, Ahmed Abdullah Al-Marhoon
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Fatalities of Road Traffic Crashes (RTCs) on rural roads are usually higher than that on urban roads. The likelihood of traffic accidents may increase with the presence of factors that are associated with the rural type of community such as long-distance, road type, road geometry (e.g., curves and steepens), poor lighting, terrain, obstacles (e.g., animals crossing, boulders or tree branches), heavy truck traffic, weather conditions, and road flaws. Most of these factors are present on the rural roads of Oman. As many cities in Oman are surrounded by mountains and connected by rural roads, this is of great concern. In this paper, the causes of traffic crashes on rural roads in Oman are analyzed. The fatality rate of traffic deaths on rural roads is compared with the fatality rate on urban roads for different regions in Oman. Statistical data and police reports show that the leading cause of RTCs and deaths on rural roads is vehicle speeding, especially on long-distance roads. It is shown that crashes on rural roads result in higher fatalities than crashes on urban roads. In comparison to speed, the numbers of RTCs and deaths that resulted from other causes are small.Keywords: causes of traffic crashes, road safety, road traffic crash, rural roads
Procedia PDF Downloads 1642264 Possibility of Membrane Filtration to Treatment of Effluent from Digestate
Authors: Marcin Debowski, Marcin Zielinski, Magdalena Zielinska, Paulina Rusanowska
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The problem with digestate management is one of the most important factors influencing on the development and operation of biogas plant. Turbidity and bacterial contamination negatively affect the growth of algae, which can limit the use of the effluent in the production of algae biomass on a large scale. These problems can be overcome by cultivating of algae species resistant to environmental factors, such as Chlorella sp., Scenedesmus sp., or reducing load of organic compounds to prevent bacterial contamination. The effluent requires dilution and/or purification. One of the methods of effluent treatment is the use of a membrane technology such as microfiltration (MF), ultrafiltration (UF), nanofiltration (NF) and reverse osmosis (RO), depending on the membrane pore size and the cut off point. Membranes are a physical barrier to solids and particles larger than the size of the pores. MF membranes have the largest pores and are used to remove turbidity, suspensions, bacteria and some viruses. UF membranes remove also color, odor and organic compounds with high molecular weight. In treatment of wastewater or other waste streams, MF and UF can provide a sufficient degree of purification. NF membranes are used to remove natural organic matter from waters, water disinfection products and sulfates. RO membranes are applied to remove monovalent ions such as Na⁺ or K⁺. The effluent was used in UF for medium to cultivation of two microalgae: Chlorella sp. and Phaeodactylum tricornutum. Growth rates of Chlorella sp. and P. tricornutum were similar: 0.216 d⁻¹ and 0.200 d⁻¹ (Chlorella sp.); 0.128 d⁻¹ and 0.126 d⁻¹ (P. tricornutum), on synthetic medium and permeate from UF, respectively. The final biomass composition was also similar, regardless of the medium. Removal of nitrogen was 92% and 71% by Chlorella sp. and P. tricornutum, respectively. The fermentation effluents after UF and dilution were also used for cultivation of algae Scenedesmus sp. that is resistant to environmental conditions. The authors recommended the development of biorafinery based on the production of algae for the biogas production. There are examples of using a multi-stage membrane system to purify the liquid fraction from digestate. After the initial UF, RO is used to remove ammonium nitrogen and COD. To obtain a permeate with a concentration of ammonium nitrogen allowing to discharge it into the environment, it was necessary to apply three-stage RO. The composition of the permeate after two-stage RO was: COD 50–60 mg/dm³, dry solids 0 mg/dm³, ammonium nitrogen 300–320 mg/dm³, total nitrogen 320–340 mg/dm³, total phosphorus 53 mg/dm³. However compostion of permeate after three-stage RO was: COD < 5 mg/dm³, dry solids 0 mg/dm³, ammonium nitrogen 0 mg/dm³, total nitrogen 3.5 mg/dm³, total phosphorus < 0,05 mg/dm³. Last stage of RO might be replaced by ion exchange process. The negative aspect of membrane filtration systems is the fact that the permeate is about 50% of the introduced volume, the remainder is the retentate. The management of a retentate might involve recirculation to a biogas plant.Keywords: digestate, membrane filtration, microalgae cultivation, Chlorella sp.
Procedia PDF Downloads 3512263 Safety Approach Highway Alignment Optimization
Authors: Seyed Abbas Tabatabaei, Marjan Naderan Tahan, Arman Kadkhodai
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An efficient optimization approach, called feasible gate (FG), is developed to enhance the computation efficiency and solution quality of the previously developed highway alignment optimization (HAO) model. This approach seeks to realistically represent various user preferences and environmentally sensitive areas and consider them along with geometric design constraints in the optimization process. This is done by avoiding the generation of infeasible solutions that violate various constraints and thus focusing the search on the feasible solutions. The proposed method is simple, but improves significantly the model’s computation time and solution quality. On the other, highway alignment optimization through Feasible Gates, eventuates only economic model by considering minimum design constrains includes minimum reduce of circular curves, minimum length of vertical curves and road maximum gradient. This modelling can reduce passenger comfort and road safety. In most of highway optimization models, by adding penalty function for each constraint, final result handles to satisfy minimum constraint. In this paper, we want to propose a safety-function solution by introducing gift function.Keywords: safety, highway geometry, optimization, alignment
Procedia PDF Downloads 4082262 The Gasification of Acetone via Partial Oxidation in Supercritical Water
Authors: Shyh-Ming Chern, Kai-Ting Hsieh
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Organic solvents find various applications in many industrial sectors and laboratories as dilution solvents, dispersion solvents, cleaners and even lubricants. Millions of tons of Spent Organic Solvents (SOS) are generated each year worldwide, prompting the need for more efficient, cleaner and safer methods for the treatment and resource recovery of SOS. As a result, acetone, selected as a model compound for SOS, was gasified in supercritical water to assess the feasibility of resource recovery of SOS by means of supercritical water processes. Experiments were conducted with an autoclave reactor. Gaseous product is mainly consists of H2, CO, CO2 and CH4. The effects of three major operating parameters, the reaction temperature, from 673 to 773K, the dosage of oxidizing agent, from 0.3 to 0.5 stoichiometric oxygen, and the concentration of acetone in the feed, 0.1 and 0.2M, on the product gas composition, yield and heating value were evaluated with the water density fixed at about 0.188g/ml.Keywords: acetone, gasification, SCW, supercritical water
Procedia PDF Downloads 3852261 Factors Determining Selection of Essential Nutrition Supplements
Authors: Daniel C. S. Lim
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There are numerous nutritional supplements, such as multivitamins and nutrition drinks, in the market today. Many of these supplements are expensive and tend to be driven commercially by business decisions and big marketing budgets. Many of the costs are ultimately borne by the end user in the quest for keeping to a healthy lifestyle. This paper proposes a system with a list of ten determinants to gauge how to decide the value of various supplements. It suggests variables such as composition, safety, efficacy and bioavailability, as well as several other considerations. These guidelines can help to tackle many of the issues that people of all ages face in the way that they receive essential nutrients. The system also aims to promote and improve the safety and choice of foods and supplements. In so doing, the system aims to promote the individual’s or population’s control over their own health and reduce the growing health care burden on the society.Keywords: choice of foods and supplements, essential nutrients, nutritional supplements, system safety
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