Search results for: metal load
1685 Theoretical Insight into Ligand Free Manganese Catalyzed C-O Coupling Protocol for the Synthesis of Biaryl Ethers
Authors: Carolin Anna Joy, Rohith K. R, Rehin Sulay, Parvathy Santhoshkumar, G.Anil Kumar, Vibin Ipe Thomas
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Ullmann coupling reactions are gaining great relevance owing to their contribution in the synthesis of biologically and pharmaceutically important compounds. Palladium and many other heavy metals have proven their excellent ability in coupling reaction, but the toxicity matters. The first-row transition metal also possess toxicity, except in the case of iron and manganese. The suitability of manganese as a catalyst is achieving great interest in oxidation, reduction, C-H activation, coupling reaction etc. In this presentation, we discuss the thermo chemistry of ligand free manganese catalyzed C-O coupling reaction between phenol and aryl halide for the synthesis of biaryl ethers using Density functional theory techniques. The mechanism involves an oxidative addition-reductive elimination step. The transition state for both the step had been studied and confirmed using Intrinsic Reaction Coordinate (IRC) calculation. The barrier height for the reaction had also been calculated from the rate determining step. The possibility of other mechanistic way had also been studied. To achieve further insight into the mechanism, substrate having various functional groups is considered in our study to direct their effect on the feasibility of the reaction.Keywords: Density functional theory, Molecular Modeling, ligand free, biaryl ethers, Ullmann coupling
Procedia PDF Downloads 1511684 Simplified Equations for Rigidity and Lateral Deflection for Reinforced Concrete Cantilever Shear Walls
Authors: Anas M. Fares
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Reinforced concrete shear walls are the most frequently used forms of lateral resisting structural elements. These walls may take many forms due to their functions and locations in the building. In Palestine, the most lateral resisting forces construction forms is the cantilever shear walls system. It is thus of prime importance to study the rigidity of these walls. The virtual work theorem is used to derive the total lateral deflection of cantilever shear walls due to flexural and shear deformation. The case of neglecting the shear deformation in the walls is also studied, and it is found that the wall height to length aspect ratio (H/B) plays a major role in calculating the lateral deflection and the rigidity of such walls. When the H/B is more than or equal to 3.7, the shear deformation may be neglected from the calculation of the lateral deflection. Moreover, the walls with the same material properties, same lateral load value, and same aspect ratio, shall have the same of both the lateral deflection and the rigidity. Finally, an equation to calculate the total rigidity and total deflection of such walls is derived by using the virtual work theorem for a cantilever beam.Keywords: cantilever shear walls, flexural deformation, lateral deflection, lateral loads, reinforced concrete shear walls, rigidity, shear deformation, virtual work theorem
Procedia PDF Downloads 2191683 Liquid-Liquid Extraction of Uranium (VI) from Aqueous Solution Using 1-Hydroxyalkylidene-1,1-Diphosphonic Acids
Authors: Mustapha Bouhoun Ali, Ahmed Yacine Badjah Hadj Ahmed, Mouloud Attou, Abdel Hamid Elias, Mohamed Amine Didi
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The extraction of uranium(VI) from aqueous solutions has been investigated using 1-hydroxyhexadecylidene-1,1-diphosphonic acid (HHDPA) and 1-hydroxydodecylidene-1,1-diphosphonic acid (HDDPA), which were synthesized and characterized by elemental analysis and by FT-IR, 1H NMR, 31P NMR spectroscopy. In this paper, we propose a tentative assignment for the shifts of those two ligands and their specific complexes with uranium(VI). We carried out the extraction of uranium(VI) by HHDPA and HDDPA from [carbon tetrachloride + 2-octanol (v/v: 90%/10%)] solutions. Various factors such as contact time, pH, organic/aqueous phase ratio and extractant concentration were considered. The optimum conditions obtained were: contact time = 20 min, organic/aqueous phase ratio = 1, pH value = 3.0 and extractant concentration = 0.3M. The extraction yields are more significant in the case of the HHDPA which is equipped with a hydrocarbon chain, longer than that of the HDDPA. Logarithmic plots of the uranium(VI) distribution ratio vs. pHeq and the extractant concentration showed that the ratio of extractant to extracted uranium(VI) (ligand/metal) is 2:1. The formula of the complex of uranium(VI) with the HHDPA and the DHDPA is UO2(H3L)2 (HHDPA and DHDPA are denoted as H4L). A spectroscopic analysis has showed that coordination of uranium(VI) takes place via oxygen atoms.Keywords: liquid-liquid extraction, uranium(VI), 1-hydroxyalkylidene-1, 1-diphosphonic acids, HHDPA, HDDPA, aqueous solution
Procedia PDF Downloads 5291682 Engineering of Stable and Improved Electrochemical Activities of Redox Dominating Charge Storage Electrode Materials
Authors: Girish Sambhaji Gund
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The controlled nanostructure growth and its strong coupling with the current collector are key factors to achieve good electrochemical performance of faradaic-dominant electroactive materials. We employed binder-less and additive-free hydrothermal and physical vapor doping methods for the synthesis of nickel (Ni) and cobalt (Co) based compounds nanostructures (NiO, NiCo2O4, NiCo2S4) deposited on different conductive substrates such as carbon nanotube (CNT) on stainless steel, and reduced graphene oxide (rGO) and N-doped rGO on nickel foam (NF). The size and density of Ni- and Co-based compound nanostructures are controlled through the strong coupling with carbon allotropes on stainless steel and NF substrates. This controlled nanostructure of Ni- and Co-based compounds with carbon allotropes leads to stable faradaic electrochemical reactions at the material/current collector interface and within the electrode, which is consequence of strong coupling of nanostructure with functionalized carbon surface as a buffer layer. Thus, it is believed that the results provide the synergistic approaches to stabilize electrode materials physically and chemically, and hence overall electrochemical activity of faradaic dominating battery-type electrode materials through buffer layer engineering.Keywords: metal compounds, carbon allotropes, doping, electrochemicstry, hybrid supercapacitor
Procedia PDF Downloads 811681 Model-Based Automotive Partitioning and Mapping for Embedded Multicore Systems
Authors: Robert Höttger, Lukas Krawczyk, Burkhard Igel
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This paper introduces novel approaches to partitioning and mapping in terms of model-based embedded multicore system engineering and further discusses benefits, industrial relevance and features in common with existing approaches. In order to assess and evaluate results, both approaches have been applied to a real industrial application as well as to various prototypical demonstrative applications, that have been developed and implemented for different purposes. Evaluations show, that such applications improve significantly according to performance, energy efficiency, meeting timing constraints and covering maintaining issues by using the AMALTHEA platform and the implemented approaches. Further- more, the model-based design provides an open, expandable, platform independent and scalable exchange format between OEMs, suppliers and developers on different levels. Our proposed mechanisms provide meaningful multicore system utilization since load balancing by means of partitioning and mapping is effectively performed with regard to the modeled systems including hardware, software, operating system, scheduling, constraints, configuration and more data.Keywords: partitioning, mapping, distributed systems, scheduling, embedded multicore systems, model-based, system analysis
Procedia PDF Downloads 6221680 Computational Studies of the Reactivity Descriptors and the Optoelectronic Properties on the Efficiency Free-Base- and Zn-Porphyrin-Sensitized Solar Cells
Authors: Soraya Abtouche, Zeyneb Ghoualem, Syrine Daoudi, Lina Ouldmohamed, Xavier Assfeld
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This work reports density functional theory calculations of the optimized geometries, molecular reactivity, energy gap,and thermodynamic properties of the free base (H2P) and their Zn (II) metallated (ZnP), bearing one, two, or three carboxylic acid groups using the hybrid functional B3LYP, Cam-B3lYP, wb97xd with 6-31G(d,p) basis sets. When donating groups are attached to the molecular dye, the bond lengths are slightly decreased, which is important for the easy transfer of an electron from donating to the accepting group. For all dyes, the highest occupied molecular orbital/lowest occupied molecular orbital analysis results in positive outcomes upon electron injection to the semiconductor and subsequent dye regeneration by the electrolyte. The ionization potential increases with increasing conjugation; therefore, the compound dye attached to one carboxylic acid group has the highest ionization potential. The results show higher efficiencies of those sensitized with ZnP. These results have been explained, taking into account the electronic character of the metal ion, which acts as a mediator in the injection step, and, on the other hand, considering the number of anchoring groups to which it binds to the surface of TiO2.Keywords: DSSC, porphyrin, TD-DFT, electronic properties, donor-acceptor groups
Procedia PDF Downloads 801679 Energy Saving in Handling the Air-Conditioning Latent-Load Using a Liquid Desiccant Air Conditioner: Parametric Experimental Analysis
Authors: Mustafa Jaradat
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Reasonable energy saving for dehumidification is feasible with the use of desiccants. Desiccants are able to lower the humidity content in the air irrespective of the dew point temperature. In this paper, a tube bundle liquid desiccant air conditioner was experimentally designed and evaluated using lithium chloride as a desiccant. Several experiments were conducted to evaluate the influence of the inlet parameters on the dehumidifier performance. The results show a reduction in the relative humidity in the range of 17 to 46%, and the change in the humidity ratio was between 1.5 to 4.7 g/kg, depending on the inlet conditions. A water removal rate in the range between 0.54 and 1.67 kg/h was observed. The effects of air relative humidity and the desiccant flow rate on the dehumidifier’s performance were investigated. It was found that the moisture removal rate remarkably increased with increasing desiccant flow rate and air inlet humidity ratio. The dehumidifier effectiveness increased sharply with increasing desiccant flow rate. Also, it was found that the dehumidifier effectiveness slightly decreased with air humidity ratio.Keywords: air conditioning, dehumidification, desiccant, lithium chloride, tube bundle
Procedia PDF Downloads 1451678 Investigation of Corrosion Inhibition Potential of Acalypha chamaedrifolia Leaves Extract towards Mild Steel in Acid Medium
Authors: Stephen Eyije Abechi, Casimir Emmanuel Gimba, Zaharaddeen Nasiru Garba, Sani Shamsudeen, David Ebuka Authur
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Corrosion inhibition of mild steel in acid medium using Acalypha chamaedrifolia leaves extract as potential green inhibitor was investigated. Gravimetric (weight loss) technique was used for the corrosion studies. Mild steel coupons of 2cm × 1cm × 0.27 cm dimensions were exposed for varying durations of between 24 to 120 hours, in 1M HCl medium containing a varying concentrations of the leaves extract (0.25g/L, - 1.25g/L). The results show that corrosion rates dropped from a value of 0.49 mgcm-2hr-1 for the uninhibited medium to a value of 0.15 mgcm-2hr-1 for the inhibited medium of 1M HCl in 0.25 g/l of the extract. Values of corrosion inhibition efficiencies of 70.38-85.11% were observed as the concentration of the inhibitor were increased from 0.25g/L, - 1.25g/L. Corrosion Inhibition was found to increase with increase in immersion time and temperature. The magnitude of the Ea indicates that the interaction between the metal surface and the inhibitor was chemisorptions. The Adsorption process fit into the Langmuir isotherm model with a correlation coefficient of 0.97. Evidence from molecular dynamics model shows that Methyl stearate (Line 5) and (3Z, 13Z)-2-methyloctadeca-3,13-dien-1-ol (line 11) were found to have the highest binding energy of -197.69 ± 3.12 and-194.56 ± 10.04 in kcal/mol respectively. The binding energy of these compounds indicates that they would be a very good corrosion inhibitor for mild steel and other Fe related materials.Keywords: binding energy, corrosion, inhibitor, langmuir isotherm, mild steel
Procedia PDF Downloads 3631677 Cost Analysis of Hybrid Wind Energy Generating System Considering CO2 Emissions
Authors: M. A. Badr, M. N. El Kordy, A. N. Mohib, M. M. Ibrahim
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The basic objective of the research is to study the effect of hybrid wind energy on the cost of generated electricity considering the cost of reduction CO2 emissions. The system consists of small wind turbine(s), storage battery bank and a diesel generator (W/D/B). Using an optimization software package, different system configurations are investigated to reach optimum configuration based on the net present cost (NPC) and cost of energy (COE) as economic optimization criteria. The cost of avoided CO2 is taken into consideration. The system is intended to supply the electrical load of a small community (gathering six families) in a remote Egyptian area. The investigated system is not connected to the electricity grid and may replace an existing conventional diesel powered electric supply system to reduce fuel consumption and CO2 emissions. The simulation results showed that W/D energy system is more economic than diesel alone. The estimated COE is 0.308$/kWh and extracting the cost of avoided CO2, the COE reached 0.226 $/kWh which is an external benefit of wind turbine, as there are no pollutant emissions through operational phase.Keywords: hybrid wind turbine systems, remote areas electrification, simulation of hybrid energy systems, techno-economic study
Procedia PDF Downloads 4031676 Finite Volume Method Simulations of GaN Growth Process in MOVPE Reactor
Authors: J. Skibinski, P. Caban, T. Wejrzanowski, K. J. Kurzydlowski
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In the present study, numerical simulations of heat and mass transfer during gallium nitride growth process in Metal Organic Vapor Phase Epitaxy reactor AIX-200/4RF-S is addressed. Existing knowledge about phenomena occurring in the MOVPE process allows to produce high quality nitride based semiconductors. However, process parameters of MOVPE reactors can vary in certain ranges. Main goal of this study is optimization of the process and improvement of the quality of obtained crystal. In order to investigate this subject a series of computer simulations have been performed. Numerical simulations of heat and mass transfer in GaN epitaxial growth process have been performed to determine growth rate for various mass flow rates and pressures of reagents. According to the fact that it’s impossible to determine experimentally the exact distribution of heat and mass transfer inside the reactor during the process, modeling is the only solution to understand the process precisely. Main heat transfer mechanisms during MOVPE process are convection and radiation. Correlation of modeling results with the experiment allows to determine optimal process parameters for obtaining crystals of highest quality.Keywords: Finite Volume Method, semiconductors, epitaxial growth, metalorganic vapor phase epitaxy, gallium nitride
Procedia PDF Downloads 4011675 The Mineral and Petroleum Sectors of Papua New Guinea: An Overview
Authors: James Wapyer, Simon A. Kawagle
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The current downturn in the metal and oil prices has significantly affected the mineral and petroleum sectors of Papua New Guinea. The sectors have not grown substantially in the last three years compared to previous years. Resources of several projects have not been proved up as well as feasibility studies not undertaken on advanced projects. In the 2012-2015 periods, however, development licences for four projects have been granted - the Solwara-1 project in the Manus Basin, the Woodlark project, the Crater Mountains project and the Stanley gas-condensate project. There has been some progress on three advanced projects – Frieda River copper-gold porphyry, Mount Kare gold, and the Wafi-Golpu projects. The oilfields are small by world standard but have been high rates of production. The developments of liquefied natural gas projects are progressing well and the first LNG project with ExxonMobil and partners shipped its first cargo in May 2014, the second with Total and partners involving Elk-Antelope gas-condensate fields is in its development stage, and the third with Horizon Oil and partners involving gas fields in the western Papuan basin is in the planning stage. Significantly, in the years 2012-2015, the country has exported liquefied natural gas, nickel, cobalt and chromium, and has granted exploration licences for iron-sands and coal measures for the first time.Keywords: exploration, mineral, Papua New Guinea, petroleum
Procedia PDF Downloads 2721674 An Analytical Study on Rotational Capacity of Beam-Column Joints in Unit Modular Frames
Authors: Kyung-Suk Choi, Hyung-Joon Kim
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Modular structural systems are constructed using a method that they are assembled with prefabricated unit modular frames on-site. This provides a benefit that can significantly reduce building construction time. Their structural design is usually carried out under the assumption that the load-carrying mechanism is similar to that of a traditional steel moment-resisting system. However, both systems are different in terms of beam-column connection details which may strongly influence the lateral structural behavior. Specially, the presence of access holes in a beam-column joint of a unit modular frame could cause undesirable failure during strong earthquakes. Therefore, this study carried out finite element analyses (FEM) of unit modular frames to investigate the cyclic behavior of beam-column joints with the structural influence of access holes. Analysis results show that the unit modular frames present stable cyclic response with large deformation capacities, and their joints are classified into semi-rigid connections.Keywords: unit modular frame, steel moment connection, nonlinear analytical model, moment-rotation relation
Procedia PDF Downloads 6201673 Numerical Study of Fatigue Crack Growth at a Web Stiffener of Ship Structural Details
Authors: Wentao He, Jingxi Liu, De Xie
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It is necessary to manage the fatigue crack growth (FCG) once those cracks are detected during in-service inspections. In this paper, a simulation program (FCG-System) is developed utilizing the commercial software ABAQUS with its object-oriented programming interface to simulate the fatigue crack path and to compute the corresponding fatigue life. In order to apply FCG-System in large-scale marine structures, the substructure modeling technique is integrated in the system under the consideration of structural details and load shedding during crack growth. Based on the nodal forces and nodal displacements obtained from finite element analysis, a formula for shell elements to compute stress intensity factors is proposed in the view of virtual crack closure technique. The cracks initiating from the intersection of flange and the end of the web-stiffener are investigated for fatigue crack paths and growth lives under water pressure loading and axial force loading, separately. It is found that the FCG-System developed by authors could be an efficient tool to perform fatigue crack growth analysis on marine structures.Keywords: crack path, fatigue crack, fatigue live, FCG-system, virtual crack closure technique
Procedia PDF Downloads 5691672 Hot Corrosion Susceptibility of Uncoated Boiler Tubes during High Vanadium Containing Fuel Oil Operation in Boiler Applications
Authors: Nicole Laws, William L. Roberts, Saumitra Saxena, Krishnamurthy Anand, Sreenivasa Gubba, Ziad Dawood, Aiping Chen
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Boiler-fired power plants that operate steam turbines in Saudi Arabia use vanadium-containing fuel oil. In a super- or sub-critical steam cycle, the skin temperature of boiler tube metal can reach close to 600-1000°C depending on the location of the tubes. At high temperatures, corrosion by the sodium-vanadium-oxygen-sulfur eutectic can become a significant risk. The experimental work utilized a state-of-the-art high-temperature, high-pressure burner rig at KAUST, King Abdullah University of Science and Technology. To establish corrosion rates of different boiler tubes and materials, SA 213 T12, SA 213 T22, SA 213 T91, and Inconel 600, were used under various corrosive media, including vanadium to sulfur levels and vanadium to sodium ratios. The results obtained from the experiments establish a corrosion rate map for the materials involved and layout an empirical framework to rank the life of boiler tube materials under different operating conditions. Safe windows of operation are proposed for burning liquid fuels under varying vanadium, sodium, and sulfur levels before corrosion rates become a matter of significance under high-temperature conditionsKeywords: boiler tube life, hot corrosion, steam boilers, vanadium in fuel oil
Procedia PDF Downloads 2361671 Tailoring Polythiophene Nanocomposites with MnS/CoS Nanoparticles for Enhanced Surface-Enhanced Raman Spectroscopy (SERS) Detection of Mercury Ions in Water
Authors: Temesgen Geremew
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The excessive emission of heavy metal ions from industrial processes poses a serious threat to both the environment and human health. This study presents a distinct approach utilizing (PTh-MnS/CoS NPs) for the highly selective and sensitive detection of Hg²⁺ ions in water. Such detection is crucial for safeguarding human health, protecting the environment, and accurately assessing toxicity. The fabrication method employs a simple and efficient chemical precipitation technique, harmoniously combining polythiophene, MnS, and CoS NPs to create highly active substrates for SERS. The MnS@Hg²⁺ exhibits a distinct Raman shift at 1666 cm⁻¹, enabling specific identification and demonstrating the highest responsiveness among the studied semiconductor substrates with a detection limit of only 1 nM. This investigation demonstrates reliable and practical SERS detection for Hg²⁺ ions. Relative standard deviation (RSD) ranged from 0.49% to 9.8%, and recovery rates varied from 96% to 102%, indicating selective adsorption of Hg²⁺ ions on the synthesized substrate. Furthermore, this research led to the development of a remarkable set of substrates, including (MnS, CoS, MnS/CoS, and PTh-MnS/CoS) nanoparticles were created right there on SiO₂/Si substrate, all exhibiting sensitive, robust, and selective SERS for Hg²⁺ ion detection. These platforms effectively monitor Hg²⁺ concentrations in real environmental samples.Keywords: surface-enhanced raman spectroscopy (SERS), sensor, mercury ions, nanoparticles, and polythiophene.
Procedia PDF Downloads 821670 Application of Stabilized Polyaniline Microparticles for Better Protective Ability of Zinc Coatings
Authors: N. Boshkova, K. Kamburova, N. Tabakova, N. Boshkov, Ts. Radeva
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Coatings based on polyaniline (PANI) can improve the resistance of steel against corrosion. In this work, the preparation of stable suspensions of colloidal PANI-SiO2 particles, suitable for obtaining of composite anticorrosive coating on steel, is described. Electrokinetic data as a function of pH are presented, showing that the zeta potentials of the PANI-SiO2 particles are governed primarily by the charged groups at the silica oxide surface. Electrosteric stabilization of the PANI-SiO2 particles’ suspension against aggregation is realized at pH>5.5 (EB form of PANI) by adsorption of positively charged polyelectrolyte molecules onto negatively charged PANI-SiO2 particles. The PANI-SiO2 particles are incorporated by electrodeposition into the metal matrix of zinc in order to obtain composite (hybrid) coatings. The latter are aimed to ensure sacrificial protection of steel mainly in aggressive media leading to local corrosion damages. The surface morphology of the composite zinc coatings is investigated with SEM. The influence of PANI-SiO2 particles on the cathodic and anodic processes occurring in the starting electrolyte for obtaining of the coatings is followed with cyclic voltammetry. The electrochemical and corrosion behavior is evaluated with potentiodynamic polarization curves and polarization resistance measurements. The beneficial effect of the stabilized PANI-SiO2 particles for the increased protective ability of the composites is commented and discussed.Keywords: corrosion, polyaniline-silica particles, zinc, protective ability
Procedia PDF Downloads 1761669 Performance Improvement of SOI-Tri Gate FinFET Transistor Using High-K Dielectric with Metal Gate
Authors: Fatima Zohra Rahou, A.Guen Bouazza, B. Bouazza
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SOI TRI GATE FinFET transistors have emerged as novel devices due to its simple architecture and better performance: better control over short channel effects (SCEs) and reduced power dissipation due to reduced gate leakage currents. As the oxide thickness scales below 2 nm, leakage currents due to tunneling increase drastically, leading to high power consumption and reduced device reliability. Replacing the SiO2 gate oxide with a high-κ material allows increased gate capacitance without the associated leakage effects. In this paper, SOI TRI-GATE FinFET structure with use of high K dielectric materials (HfO2) and SiO2 dielectric are simulated using the 3-D device simulator Devedit and Atlas of TCAD Silvaco. The simulated results exhibits significant improvements in the performances of SOI TRI GATE FinFET with gate oxide HfO2 compared with conventional gate oxide SiO2 for the same structure. SOI TRI-GATE FinFET structure with the use of high K materials (HfO2) in gate oxide results into the increase in saturation current, threshold voltage, on-state current and Ion/Ioff ratio while off-state current, subthreshold slope and DIBL effect are decreased.Keywords: technology SOI, short-channel effects (SCEs), multi-gate SOI MOSFET, SOI-TRI Gate FinFET, high-K dielectric, Silvaco software
Procedia PDF Downloads 3481668 Optimal Sizes of Battery Energy Storage Systems for Economic Operation in Microgrid
Authors: Sirus Mohammadi, Sara Ansari, Darush dehghan, Habib Hoshyari
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Batteries for storage of electricity from solar and wind generation farms are a key element in the success of sustainability. In recent years, due to large integration of Renewable Energy Sources (RESs) like wind turbine and photovoltaic unit into the Micro-Grid (MG), the necessity of Battery Energy Storage (BES) has increased dramatically. The BES has several benefits and advantages in the MG-based applications such as short term power supply, power quality improvement, facilitating integration of RES, ancillary service and arbitrage. This paper presents the cost-based formulation to determine the optimal size of the BES in the operation management of MG. Also, some restrictions, i.e. power capacity of Distributed Generators (DGs), power and energy capacity of BES, charge/discharge efficiency of BES, operating reserve and load demand satisfaction should be considered as well. In this paper, a methodology is proposed for the optimal allocation and economic analysis of ESS in MGs on the basis of net present value (NPV). As the optimal operation of an MG strongly depends on the arrangement and allocation of its ESS, economic operation strategies and optimal allocation methods of the ESS devices are required for the MG.Keywords: microgrid, energy storage system, optimal sizing, net present value
Procedia PDF Downloads 4951667 Theoretical Study of Structural Parameters, Chemical Reactivity and Spectral and Thermodynamical Properties of Organometallic Complexes Containing Zinc, Nickel and Cadmium with Nitrilotriacetic Acid and Tea Ligands: Density Functional Theory Investigation
Authors: Nour El Houda Bensiradj, Nafila Zouaghi, Taha Bensiradj
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The pollution of water resources is characterized by the presence of microorganisms, chemicals, or industrial waste. Generally, this waste generates effluents containing large quantities of heavy metals, making the water unsuitable for consumption and causing the death of aquatic life and associated biodiversity. Currently, it is very important to assess the impact of heavy metals in water pollution as well as the processes for treating and reducing them. Among the methods of water treatment and disinfection, we mention the complexation of metal ions using ligands which serve to precipitate and subsequently eliminate these ions. In this context, we are interested in the study of complexes containing heavy metals such as zinc, nickel, and cadmium, which are present in several industrial discharges and are discharged into water sources. We will use the ligands of triethanolamine (TEA) and nitrilotriacetic acid (NTA). The theoretical study is based on molecular modeling, using the density functional theory (DFT) implemented in the Gaussian 09 program. The geometric and energetic properties of the above complexes will be calculated. Spectral properties such as infrared, as well as reactivity descriptors, and thermodynamic properties such as enthalpy and free enthalpy will also be determined.Keywords: heavy metals, NTA, TEA, DFT, IR, reactivity descriptors
Procedia PDF Downloads 1051666 Effect of Segregation Pattern of Mn, Si, and C on through Thickness Microstructure and Properties of Hot Rolled Steel
Authors: Waleed M. Al-Othman, Hamid Bayati, Abdullah Al-Shahrani, Haitham Al-Jabr
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Pearlite bands commonly form parallel to the surface of the hot rolled steel and have significant influence on the properties of the steel. This study investigated the correlation between segregation pattern of Mn, Si, C and formation of the pearlite bands in hot rolled Gr 60 steel plate. Microstructural study indicated formation of a distinguished thick band at centerline of the plate with number of parallel bands through thickness of the steel plate. The thickness, frequency, and continuity of the bands are reduced from mid-thickness toward external surface of the steel plate. Analysis showed a noticeable increase of C, Si and Mn levels within the bands. Such alloying segregation takes place during metal solidification. EDS analysis verified presence of particles rich in Ti, Nb, Mn, C, N, within the bands. Texture analysis by Electron Backscatter Detector (EBSD) indicated the grains size/misorientation can noticeably change within the bands. Effect of banding on through-thickness properties of the steel was examined by carrying out microhardness, toughness and tensile tests. Results suggest the Mn and C contents are changed in sinusoidal pattern through thickness of the hot rolled plate and pearlite bands are formed at the peaks of this sinusoidal segregation pattern. Changes in grain size/misorientation, formation of highly alloyed particles, and pearlite within these bands, facilitate crack formation along boundaries of these bands.Keywords: pearlite band, alloying segregation, hot rolling, Ti, Nb, N, C
Procedia PDF Downloads 1381665 Mercaptopropionic Acid (MPA) Modifying Chitosan-Gold Nano Composite for γ-Aminobutyric Acid Analysis Using Raman Scattering
Authors: Bingjie Wang, Su-Yeon Kwon, Ik-Joong Kang
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The goal of this experiment is to develop a sensor that can quickly check the concentration by using the nanoparticles made by chitosan and gold. Using chitosan nanoparticles crosslinking with sodium tripolyphosphate(TPP) is the first step to form the chitosan nanoparticles, which would be covered with the gold sequentially. The size of the fabricated product was around 100nm. Based on the method that the sulfur end of the MPA linked to gold can form the very strong S–Au bond, and the carboxyl group, the other end of the MPA, can easily absorb the GABA. As for the GABA, what is the primary inhibitory neurotransmitter in the mammalian central nervous system in the human body. It plays such significant role in reducing neuronal excitability pass through the nervous system. A Surface-enhanced Raman Scattering (SERS) as the principle for enhancing Raman scattering by molecules adsorbed on rough metal surfaces or by nanostructures is used to detect the concentration change of γ-Aminobutyric Acid (GABA). When the system is formed, it generated SERS, which made a clear difference in the intensity of Raman scattering within the range of GABA concentration. So it is obtained from the experiment that the calibration curve according to the GABA concentration relevant with the SERS scattering. In this study, DLS, SEM, FT-IR, UV, SERS were used to analyze the products to obtain the conclusion.Keywords: mercaptopropionic acid, chitosan-gold nanoshell, γ-aminobutyric acid, surface-enhanced raman scattering
Procedia PDF Downloads 2771664 Building Energy Modeling for Networks of Data Centers
Authors: Eric Kumar, Erica Cochran, Zhiang Zhang, Wei Liang, Ronak Mody
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The objective of this article was to create a modelling framework that exposes the marginal costs of shifting workloads across geographically distributed data-centers. Geographical distribution of internet services helps to optimize their performance for localized end users with lowered communications times and increased availability. However, due to the geographical and temporal effects, the physical embodiments of a service's data center infrastructure can vary greatly. In this work, we first identify that the sources of variances in the physical infrastructure primarily stem from local weather conditions, specific user traffic profiles, energy sources, and the types of IT hardware available at the time of deployment. Second, we create a traffic simulator that indicates the IT load at each data-center in the set as an approximator for user traffic profiles. Third, we implement a framework that quantifies the global level energy demands using building energy models and the traffic profiles. The results of the model provide a time series of energy demands that can be used for further life cycle analysis of internet services.Keywords: data-centers, energy, life cycle, network simulation
Procedia PDF Downloads 1481663 Experimental Device for Fluorescence Measurement by Optical Fiber Combined with Dielectrophoretic Sorting in Microfluidic Chips
Authors: Jan Jezek, Zdenek Pilat, Filip Smatlo, Pavel Zemanek
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We present a device that combines fluorescence spectroscopy with fiber optics and dielectrophoretic micromanipulation in PDMS (poly-(dimethylsiloxane)) microfluidic chips. The device allows high speed detection (in the order of kHz) of the fluorescence signal, which is coming from the sample by an inserted optical fiber, e.g. from a micro-droplet flow in a microfluidic chip, or even from the liquid flowing in the transparent capillary, etc. The device uses a laser diode at a wavelength suitable for excitation of fluorescence, excitation and emission filters, optics for focusing the laser radiation into the optical fiber, and a highly sensitive fast photodiode for detection of fluorescence. The device is combined with dielectrophoretic sorting on a chip for sorting of micro-droplets according to their fluorescence intensity. The electrodes are created by lift-off technology on a glass substrate, or by using channels filled with a soft metal alloy or an electrolyte. This device found its use in screening of enzymatic reactions and sorting of individual fluorescently labelled microorganisms. The authors acknowledge the support from the Grant Agency of the Czech Republic (GA16-07965S) and Ministry of Education, Youth and Sports of the Czech Republic (LO1212) together with the European Commission (ALISI No. CZ.1.05/2.1.00/01.0017).Keywords: dielectrophoretic sorting, fiber optics, laser, microfluidic chips, microdroplets, spectroscopy
Procedia PDF Downloads 7211662 Wear Behavior of Grey Cast Iron Coated with Al2O3-13TiO2 and Ni20Cr Using Detonation Spray Process
Authors: Harjot Singh Gill, Neelkanth Grover, Jwala Parshad Singla
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The main aim of this research work is to present the effect of coating on two different grades of grey cast iron using detonation spray method. Ni20Cr and Al2O3-13TiO2 powders were sprayed using detonation gun onto GI250 and GIHC substrates and the results as well as coating surface morphology of the coating is studied by XRD and SEM/EDAX analysis. The wear resistance of Ni20Cr and Al2O3-13TiO2 has been investigated on pin-on-disc tribometer using ASTM G99 standards. Cumulative wear rate and coefficient of friction (µ) were calculated under three normal load of 30N, 40N, 50N at constant sliding velocity of 1m/s. Worn out surfaces were analyzed by SEM/EDAX. The results show significant resistance to wear with Al2O3-13TiO2 coating as compared to Ni20Cr and bare substrates. SEM/EDAX analysis and cumulative wear loss bar charts clearly explain the wear behavior of coated as well as bare sample of GI250 and GIHC.Keywords: detonation spray, grey cast iron, wear rate, coefficient of friction
Procedia PDF Downloads 3691661 Distributed Listening in Intensive Care: Nurses’ Collective Alarm Responses Unravelled through Auditory Spatiotemporal Trajectories
Authors: Michael Sonne Kristensen, Frank Loesche, James Foster, Elif Ozcan, Judy Edworthy
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Auditory alarms play an integral role in intensive care nurses’ daily work. Most medical devices in the intensive care unit (ICU) are designed to produce alarm sounds in order to make nurses aware of immediate or prospective safety risks. The utilisation of sound as a carrier of crucial patient information is highly dependent on nurses’ presence - both physically and mentally. For ICU nurses, especially the ones who work with stationary alarm devices at the patient bed space, it is a challenge to display ‘appropriate’ alarm responses at all times as they have to navigate with great flexibility in a complex work environment. While being primarily responsible for a small number of allocated patients they are often required to engage with other nurses’ patients, relatives, and colleagues at different locations inside and outside the unit. This work explores the social strategies used by a team of nurses to comprehend and react to the information conveyed by the alarms in the ICU. Two main research questions guide the study: To what extent do alarms from a patient bed space reach the relevant responsible nurse by direct auditory exposure? By which means do responsible nurses get informed about their patients’ alarms when not directly exposed to the alarms? A comprehensive video-ethnographic field study was carried out to capture and evaluate alarm-related events in an ICU. The study involved close collaboration with four nurses who wore eye-level cameras and ear-level binaural audio recorders during several work shifts. At all time the entire unit was monitored by multiple video and audio recorders. From a data set of hundreds of hours of recorded material information about the nurses’ location, social interaction, and alarm exposure at any point in time was coded in a multi-channel replay-interface. The data shows that responsible nurses’ direct exposure and awareness of the alarms of their allocated patients vary significantly depending on work load, social relationships, and the location of the patient’s bed space. Distributed listening is deliberately employed by the nursing team as a social strategy to respond adequately to alarms, but the patterns of information flow prompted by alarm-related events are not uniform. Auditory Spatiotemporal Trajectory (AST) is proposed as a methodological label to designate the integration of temporal, spatial and auditory load information. As a mixed-method metrics it provides tangible evidence of how nurses’ individual alarm-related experiences differ from one another and from stationary points in the ICU. Furthermore, it is used to demonstrate how alarm-related information reaches the individual nurse through principles of social and distributed cognition, and how that information relates to the actual alarm event. Thereby it bridges a long-standing gap in the literature on medical alarm utilisation between, on the one hand, initiatives to measure objective data of the medical sound environment without consideration for any human experience, and, on the other hand, initiatives to study subjective experiences of the medical sound environment without detailed evidence of the objective characteristics of the environment.Keywords: auditory spatiotemporal trajectory, medical alarms, social cognition, video-ethography
Procedia PDF Downloads 1911660 Flange/Web Distortional Buckling of Cold-Formed Steel Beams with Web Holes under Pure Bending
Authors: Nan-Ting Yu, Boksun Kim, Long-Yuan Li
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The cold-formed steel beams with web holes are widely used as the load-carrying members in structural engineering. The perforations can release the space of the building and let the pipes go through. However, the perforated cold-formed steel (PCFS) beams may fail by distortional buckling more easily than beams with plain web; this is because the rotational stiffness from the web decreases. It is well known that the distortional buckling can be described as the buckling of the compressed flange-lip system. In fact, near the ultimate failure, the flange/web corner would move laterally, which indicates the bending of the web should be taken account. The purpose of this study is to give a specific solution for the critical stress of flange/web distortional buckling of PCFS beams. The new model is deduced based on classical energy method, and the deflection of the web is represented by the shape function of the plane beam element. The finite element analyses have been performed to validate the accuracy of the proposed model. The comparison of the critical stress calculated from Hancock's model, FEA, and present model, shows that the present model can provide a splendid prediction for the flange/web distortional buckling of PCFS beams.Keywords: cold-formed steel, beams, perforations, flange-web distortional buckling, finite element analysis
Procedia PDF Downloads 1321659 Elaboration and Characterization of MEH-PPV/PCBM Composite Film Doped with TiO2 Nanoparticles for Photovoltaic Application
Authors: Wided Zerguine, Farid Habelhames
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The performance of photovoltaic devices with a light absorber consisting of a single-type conjugated polymer is poor, due to a low photo-generation yield of charge carriers, strong radiative recombination’s and low mobility of charge carriers. Recently, it has been shown that ultra-fast photoinduced charge transfer can also occur between a conjugated polymer and a metal oxide semiconductor such as SnO2, TiO2, ZnO, Nb2O5, etc. This has led to the fabrication of photovoltaic devices based on composites of oxide semiconductor nanoparticles embedded in a conjugated polymer matrix. In this work, Poly [2-methoxy-5-(20-ethylhexyloxy)-p-phenylenevinylene] (MEH-PPV), (6,6)-phenyl-C61-butyric acid methyl ester (PCBM) and titanium dioxide (TiO2) nanoparticles (n-type) were dissolved, mixed and deposited by physical methods (spin-coating) on indium tin-oxide (ITO) substrate. The incorporation of the titanium dioxide nanoparticles changed the morphology and increased the roughness of polymers film (MEH-PPV/PCBM), and the photocurrent density of the composite (MEH-PPV/PCBM +n-TiO2) was higher than that of single MEHPPV/ PCBM film. The study showed that the presence of n-TiO2 particles in the polymeric film improves the photoelectrochemical properties of MEH-PPV/PCBM composite.Keywords: photocurrent density, organic nanostructures, hybrid coating, conducting polymer, titanium dioxide
Procedia PDF Downloads 3301658 Vibration-Based Data-Driven Model for Road Health Monitoring
Authors: Guru Prakash, Revanth Dugalam
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A road’s condition often deteriorates due to harsh loading such as overload due to trucks, and severe environmental conditions such as heavy rain, snow load, and cyclic loading. In absence of proper maintenance planning, this results in potholes, wide cracks, bumps, and increased roughness of roads. In this paper, a data-driven model will be developed to detect these damages using vibration and image signals. The key idea of the proposed methodology is that the road anomaly manifests in these signals, which can be detected by training a machine learning algorithm. The use of various machine learning techniques such as the support vector machine and Radom Forest method will be investigated. The proposed model will first be trained and tested with artificially simulated data, and the model architecture will be finalized by comparing the accuracies of various models. Once a model is fixed, the field study will be performed, and data will be collected. The field data will be used to validate the proposed model and to predict the future road’s health condition. The proposed will help to automate the road condition monitoring process, repair cost estimation, and maintenance planning process.Keywords: SVM, data-driven, road health monitoring, pot-hole
Procedia PDF Downloads 871657 Quantum Sieving for Hydrogen Isotope Separation
Authors: Hyunchul Oh
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One of the challenges in modern separation science and technology is the separation of hydrogen isotopes mixtures since D2 and H2 consist of almost identical size, shape and thermodynamic properties. Recently, quantum sieving of isotopes by confinement in narrow space has been proposed as an alternative technique. Despite many theoretical suggestions, however, it has been difficult to discover a feasible microporous material up to now. Among various porous materials, the novel class of microporous framework materials (COFs, ZIFs and MOFs) is considered as a promising material class for isotope sieving due to ultra-high porosity and uniform pore size which can be tailored. Hence, we investigate experimentally the fundamental correlation between D2/H2 molar ratio and pore size at optimized operating conditions by using different ultramicroporous frameworks. The D2/H2 molar ratio is strongly depending on pore size, pressure and temperature. An experimentally determined optimum pore diameter for quantum sieving lies between 3.0 and 3.4 Å which can be an important guideline for designing and developing feasible microporous frameworks for isotope separation. Afterwards, we report a novel strategy for efficient hydrogen isotope separation at technologically relevant operating pressure through the development of quantum sieving exploited by the pore aperture engineering. The strategy involves installation of flexible components in the pores of the framework to tune the pore surface.Keywords: gas adsorption, hydrogen isotope, metal organic frameworks(MOFs), quantum sieving
Procedia PDF Downloads 2651656 Molecular Dynamics Study on Mechanical Responses of Circular Graphene Nanoflake under Nanoindentation
Authors: Jeong-Won Kang
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Graphene, a single-atom sheet, has been considered as the most promising material for making future nanoelectromechanical systems as well as purely electrical switching with graphene transistors. Graphene-based devices have advantages in scaled-up device fabrication due to the recent progress in large area graphene growth and lithographic patterning of graphene nanostructures. Here we investigated its mechanical responses of circular graphene nanoflake under the nanoindentation using classical molecular dynamics simulations. A correlation between the load and the indentation depth was constructed. The nanoindented force in this work was applied to the center point of the circular graphene nanoflake and then, the resonance frequency could be tuned by a nanoindented depth. We found the hardening or the softening of the graphene nanoflake during its nanoindented-deflections, and such properties were recognized by the shift of the resonance frequency. The calculated mechanical parameters in the force vs deflection plot were in good agreement with previous experimental and theoretical works. This proposed schematics can detect the pressure via the deflection change or/and the resonance frequency shift, and also have great potential for versatile applications in nanoelectromechanical systems.Keywords: graphene, pressure sensor, circular graphene nanoflake, molecular dynamics
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