Search results for: material chemistry modeling

Authors: Snehal L. Kadam, Shriniwas B. Kulkarni

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Flexible electrode material with high surface area and good electrochemical properties is the current trend captivating the researchers across globe for application in the next generation energy storage field. In the present work, crumpled sheet like reduced graphene oxide grown on carbon cloth by the hydrothermal method with a series of different deposition temperatures at fixed time. The influence of the deposition temperature on the structural, morphological, optical and supercapacitive properties of the electrode material was investigated by XRD, RAMAN, XPS, TEM, FE-SEM, UV-VISIBLE and electrochemical characterization techniques.The results show that the hydrothermally synthesized reduced graphene oxide on carbon cloth has sheet like mesoporous structure. The reduced graphene oxide material at 160°C exhibits the best supercapacitor performance, with a specific capacitance of 443 F/g at scan rate 5mV/sec. Moreover, stability studies show 97% capacitance retention over 1000 CV cycles. This result shows that hydrothermally synthesized RGO on carbon cloth is the potential electrode material and would be used in the next-generation wearable energy storage systems. The detailed analysis and results will be presented at the conference.

Keywords: graphene oxide, reduced graphene oxide, carbon cloth, deposition temperature, supercapacitor

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Authors: Maha Bakkari, Fatiha Lemmeni, Rachid Tadili

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In this work, we present some characteristics of the furnace studied, its operating principle and the experimental measurements of the evolutions of the temperatures inside and outside the walls of the This work deals with the problem of energy consumption of pottery kilns whose energy consumption is relatively too high. In this work, we determined the sources of energy loss by studying the heat transfer of a pottery furnace, we proposed a recovery system to reduce energy consumption, and then we developed a numerical model modeling the transfers through the walls of the furnace and to optimize the insulation (reduce heat losses) by testing multiple insulators. The recovery and reuse of energy recovered by the recovery system will present a significant gain in energy consumption of the oven and cooking time. This research is one of the solutions that helps reduce the greenhouse effect of the planet earth, a problem that worries the world.

Keywords: recovery lost energy, energy efficiency, modeling, heat transfer

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Authors: Arezoo Rahmani, Rinez Thapa, Juha-Matti Aalto, Petri Turhanen, Jouko Vepsalainen, Vesa-PekkaLehto, Joakim Riikonen

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Production of Scandium (Sc) is a complicated process because Sc is found only in low concentrations in ores and the concentration of Sc is very low compared with other metals. Therefore, utilization of typical extraction processes such as solvent extraction is problematic in scandium extraction. The Adsorption/desorption method can be used, but it is challenging to prepare materials, which have good selectivity, high adsorption capacity, and high stability. Therefore, efficient and environmentally friendly methods for Sc extraction are needed. In this study, the nanoporous composite material was developed for extracting Sc from an Sc ore. The nanoporous composite material offers several advantageous properties such as large surface area, high chemical and mechanical stability, fast diffusion of the metals in the material and possibility to construct a filter out of the material with good flow-through properties. The nanoporous silicon material was produced by first stabilizing the surfaces with a silicon carbide layer and then functionalizing the surface with bisphosphonates that act as metal chelators. The surface area and porosity of the material were characterized by N₂ adsorption and the morphology was studied by scanning electron microscopy (SEM). The bisphosphonate content of the material was studied by thermogravimetric analysis (TGA). The concentration of metal ions in the adsorption/desorption experiments was measured with inductively coupled plasma mass spectrometry (ICP-MS). The maximum capacity of the material was 25 µmol/g Sc at pH=1 and 45 µmol/g Sc at pH=3, obtained from adsorption isotherm. The selectivity of the material towards Sc in artificial solutions containing several metal ions was studied at pH one and pH 3. The result shows good selectivity of the nanoporous composite towards adsorption of Sc. Scandium was less efficiently adsorbed from solution leached from the ore of Sc because of excessive amounts of iron (Fe), aluminum (Al) and titanium (Ti) which disturbed the adsorption process. For example, the concentration of Fe was more than 4500 ppm, while the concentration of Sc was only three ppm, approximately 1500 times lower. Precipitation methods were developed to lower the concentration of the metals other than Sc. Optimal pH for precipitation was found to be pH 4. The concentration of Fe, Al and Ti were decreased by 99, 70, 99.6%, respectively, while the concentration of Sc decreased only 22%. Despite the large reduction in the concentration of other metals, more work is needed to further increase the relative concentration of Sc compared with other metals to efficiently extract it using the developed nanoporous composite material. Nevertheless, the developed material may provide an affordable, efficient and environmentally friendly method to extract Sc on a large scale.

Keywords: adsorption, nanoporous silicon, ore solution, scandium

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Authors: Anna Avramenko, Heikki Haario

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This paper reports the development and application of a 2D depth-averaged model. The main goal of this contribution is to apply the depth averaged equations to a wind park model in which the treatment of the geometry, introduced on the mathematical model by the mass and momentum source terms. The depth-averaged model will be used in future to find the optimal position of wind turbines in the wind park. K-E and 2D LES turbulence models were consider in this article. 2D CFD simulations for one hill was done to check the depth-averaged model in practise.

Keywords: depth-averaged equations, numerical modeling, CFD, wind park model

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Authors: Martin Juckel

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Probably no other field of inorganic chemistry has undergone such a rapid development in the past two decades than the low oxidation state chemistry of main group elements. This rapid development has only been possible by the development of new bulky ligands. In case of our research group, super-bulky monodentate amido ligands and β-diketiminate ligands have been used to a great success. We first synthesized the unprecedented magnesium(I) dimer [ᴹᵉˢNacnacMg]₂ (ᴹᵉˢNacnac = [(ᴹᵉˢNCMe)₂CH]-; Mes = mesityl, which has since been used both as reducing agent and also for the synthesis of new metal-magnesium bonds. In case of the zinc bromide precursor [L*ZnBr] (L*=(N(Ar*)(SiPri₃); (Ar* = C₆H₂{C(H)Ph₂}₂Me-2,6,4, the reduction with [ᴹᵉˢNacnacMg]₂ led to such a metal-magnesium bond. This [L*ZnMg(ᴹᵉˢNacnac)] compound can be seen as an ‘inorganic Grignard reagent’, which can be used to transfer the metal fragment onto other functional groups or other metal centers; just like the conventional Grignard reagent. By simple addition of (TBoN)GeCl (TBoN = N(SiMe₃){B(DipNCH)₂) to the aforesaid compound, we were able to transfer the amido-zinc fragment to the Ge center of the germylene starting material and to synthesize the first example of a germanium(II)-zinc bond: [:Ge(TBoN)(ZnL*)]. While these reactions typically led to complex product mixture, [:Ge(TBoN)(ZnL*)] could be isolated as dark blue crystals in a good yield. This new compound shows interesting reactivity towards small molecules, especially dihydrogen gas. This is of special interest as dihydrogen is one of the more difficult small molecules to activate, due to its strong (BDE = 108 kcal/mol) and non-polar bond. In this context, the interaction between H₂ σ-bond with the tetrelylene p-Orbital (LUMO), with concomitant donation of the tetrelylene lone pair (HOMO) into the H₂ σ* orbital are responsible for the activation of dihydrogen gas. Accordingly, the narrower the HOMO-LUMO gap of tertelylene, the more reactivity towards H₂ it typically is. The aim of a narrow HOMO-LUMO gap was reached by transferring electropositive substituents respectively metal substituents with relatively low Pauling electronegativity (zinc: 1.65) onto the Ge center (here: the zinc-amido fragment). In consideration of the unprecedented reactivity of [:Ge(TBoN)(ZnL*)], a computational examination of its frontier orbital energies was undertaken. The energy separation between the HOMO, which has significant Ge lone pair character, and the LUMO, which has predominantly Ge p-orbital character, is narrow (40.8 kcal/mol; cf.∆S-T= 24.8 kcal/mol), and comparable to the HOMO-LUMO gaps calculated for other literature known complexes). The calculated very narrow HOMO-LUMO gap for the [:Ge(TBoN)(ZnL*)] complex is consistent with its high reactivity, and is remarkable considering that it incorporates a π-basic amide ligand, which are known to raise the LUMO of germylenes considerably.

Keywords: activation of dihydrogen gas, narrow HOMO-LUMO gap, first germanium(II)-zinc bond, inorganic Grignard reagent

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Authors: Anna Vanderbruggen, Kai Bachmann, Martin Rudolph, Rodrigo Serna

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Recycling of lithium-ion batteries has attracted a lot of attention in recent years and focuses primarily on valuable metals such as cobalt, nickel, and lithium. Despite the growth in graphite consumption and the fact that it is classified as a critical raw material in the European Union, USA, and Australia, there is little work focusing on graphite recycling. Thus, graphite is usually considered waste in recycling treatments, where graphite particles are concentrated in the “black mass”, a fine fraction below 1mm, which also contains the foils and the active cathode particles such as LiCoO2 or LiNiMnCoO2. To characterize the material, various analytical methods are applied, including X-Ray Fluorescence (XRF), X-Ray Diffraction (XRD), Atomic Absorption Spectrometry (AAS), and SEM-based automated mineralogy. The latter consists of the combination of a scanning electron microscopy (SEM) image analysis and energy-dispersive X-ray spectroscopy (EDS). It is a powerful and well-known method for primary material characterization; however, it has not yet been applied to secondary material such as black mass, which is a challenging material to analyze due to fine alloy particles and to the lack of an existing dedicated database. The aim of this research is to characterize the black mass depending on the metals recycling process in order to understand the liberation mechanisms of the active particles from the foils and their effect on the graphite particle surfaces and to understand their impact on the subsequent graphite flotation. Three industrial processes were taken into account: purely mechanical, pyrolysis-mechanical, and mechanical-hydrometallurgy. In summary, this article explores various and common challenges for graphite and secondary material characterization.

Keywords: automated mineralogy, characterization, graphite, lithium ion battery, recycling

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Authors: Hamdy M. Youssef, Eman A. Al-Lehaibi

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This paper presents an iteration method for the numerical solutions of a one-dimensional problem of generalized thermoelasticity with one relaxation time under given initial and boundary conditions. The thermoelastic material with variable properties as a power functional graded has been considered. Adomian’s decomposition techniques have been applied to the governing equations. The numerical results have been calculated by using the iterations method with a certain algorithm. The numerical results have been represented in figures, and the figures affirm that Adomian’s decomposition method is a successful method for modeling thermoelastic problems. Moreover, the empirical parameter of the functional graded, and the lattice design parameter have significant effects on the temperature increment, the strain, the stress, the displacement.

Keywords: Adomian, decomposition method, generalized thermoelasticity, algorithm

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Authors: M. Kagan Keler, Sibel Daglilar, Isil Kerti, Oguzhan Gunduz

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Electrospinning is a versatile way to occur fibers at nano-scale and polycaprolactone is a biomedical material which has a wide usage in cartilage defects and tissue regeneration. PCL is biocompatible and durable material which can be used in bio-implants. Therefore, electrospinning process was chosen as a fabrication method to get PCL fibers in an effective way because of its significant adjustments. In this research study, electrospinning parameters was evaluated during the producing of polymer tissue scaffolds. Polycaprolactone’s molecular weight was 80.000 Da and was employed as a tissue material in the electrospinning process. PCL was decomposed in dimethylformamid(DMF) and chloroform(CF) with the weight ratio of 1:1. Different compositions (1%, 3%, 5%, 10% and 20 %) of PCL was prepared in the laboratory conditions. All solvents with different percentages of PCL have been taken into the syringe and loaded into the electrospinning system. In electrospinning dozens of trial were applied to get homogeneously uniform scaffold samples. Taylor cone which is crucial point for electrospinning characteristic was occurred and changed in different voltages up to the material compositions’ conductivity. While the PCL percentages were increasing in the electrospinning, structure started to arise with droplets, which was an expressive problem for tissue scaffold. The vertical and horizontal layouts were applied to produce non-woven structures at all.

Keywords: tissue engineering, artificial scaffold, electrospinning, biocomposites

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Authors: Gurinder Singh Brar, Sarbjeet Singh, Harry Garg

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Wire Electric Discharge Machining (WEDM) is thermal machining process capable of machining very hard electrically conductive material irrespective of their hardness. WEDM is being widely used to machine micro-scale parts with the high dimensional accuracy and surface finish. The objective of this paper is to optimize the process parameters of wire EDM to fabricate the microchannels and to calculate the surface finish and material removal rate of microchannels fabricated using wire EDM. The material used is aluminum 6061 alloy. The experiments were performed using CNC wire cut electric discharge machine. The effect of various parameters of WEDM like pulse on time (TON) with the levels (100, 150, 200), pulse off time (TOFF) with the levels (25, 35, 45) and current (IP) with the levels (105, 110, 115) were investigated to study the effect on output parameter i.e. Surface Roughness and Material Removal Rate (MRR). Each experiment was conducted under different conditions of a pulse on time, pulse off time and peak current. For material removal rate, TON and Ip were the most significant process parameter. MRR increases with the increase in TON and Ip and decreases with the increase in TOFF. For surface roughness, TON and Ip have the maximum effect and TOFF was found out to be less effective.

Keywords: microchannels, Wire Electric Discharge Machining (WEDM), Metal Removal Rate (MRR), surface finish

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Authors: Abdul Mutalib Md Jani, Abdul Hadi Mahmud, Mohd Tajuddin Mohd Ali

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The rapid growth of interest in surface modification of nanostructures materials that exhibit improved structural and functional properties is attracting more researchers. The unique properties of highly ordered nanoporous anodic aluminium oxide (NAAO) membrane have been proposed as a platform for biosensing applications. They exhibit excellent physical and chemical properties with high porosity, high surface area, tunable pore sizes and excellent chemical resistance. In this study, NAAO was functionalized with 3-aminopropyltriethoxysilane (APTES) to prepared silane-modified NAAO. Amine functional groups are formed on the surface of NAAO during silanization and were characterized using Fourier Transform Infrared spectroscopy (FTIR). The synthesis of multi segment of peptide on NAAO surfaces can be realized by changing the surface chemistry of the NAAO membrane via click chemistry. By click reactions, utilizing alkyne terminated with amino group, various peptides tagged on NAAO can be envisioned from chiral natural or unnatural amino acids using standard coupling methods (HOBt, EDCI and HBTU). This strategy seemly versatile since coupling strategy of dipeptide with another amino acids, leading to tripeptide, tetrapeptide or pentapeptide, can be synthesized without purification. When an appropriate terminus is selected, multiple segments of amino acids can be successfully synthesized on the surfaces. The immobilized NAAO should be easily separated from the reaction medium by conventional filtration, thus avoiding complicated purification methods. Herein, we proposed to synthesize multi fragment peptide as a model for capturing and attaching various small biomolecules on NAAO surfaces and can be also applied as biosensing device, drug delivery systems and biocatalyst.

Keywords: nanoporous anodic aluminium oxide, silanization, peptide synthesise, click chemistry

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Authors: Slim Souissi, Mohamed Ben Amar, Nesrine Bouhamed, Pierre Marechal

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The bio-composites development from biodegradable materials and natural fibers has a growing interest in the science of composite materials. The present work was conducted as part of a cooperation project between the Sfax University and the Havre University. This work consists in developing and monitoring the properties of a composite material of olive flour wood with a polymer matrix (urea formaldehyde). For this, ultrasonic non-destructive and destructive methods of characterization were used to optimize the mechanical and acoustic properties of the studied material based on the elaboration parameters.

Keywords: bio-composite, olive flour wood, polymer matrix, ultrasonic methods, mechanical properties

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Authors: Arunima Shukla, Vikas Almadi, Devesh Jaiswal, Sunil Saini, Bhusan S. Patil

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Lightning protection consists of three main parts; mainly air termination system, down conductor, and earth termination system. Earth termination system is the most important part as earth is the sink and source of charges. Therefore, even when the charges are captured and delivered to the ground, and an easy path is not provided to the charges, earth termination system would lead to problems. Soil has significantly different resistivities ranging from 10 Ωm for wet organic soil to 10000 Ωm for bedrock. Different methods have been discussed and used conventionally such as deep-ground-well method and altering the length of the rod. Those methods are not considered economical. Therefore, it was a general practice to use charcoal along with salt to reduce the soil resistivity. Bentonite is worldwide acceptable material, that had led our interest towards study of bentonite at first. It was concluded that bentonite is a clay which is non-corrosive, environment friendly. Whereas bentonite is suitable only when there is moisture present in the soil, as in the absence of moisture, cracks will appear on the surface which will provide an open passage to the air, resulting into increase in the resistivity. Furthermore, bentonite without moisture does not have enough bonding property, moisture retention, conductivity, and non-leachability. Therefore, bentonite was used along with the other backfill material to overcome the dependency of bentonite on moisture. Different experiments were performed to get the best ratio of bentonite and carbon backfill. It was concluded that properties will highly depend on the quantity of bentonite and carbon-based backfill material.

Keywords: backfill material, bentonite, grounding material, low resistivity

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Authors: Javed Iqbal

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The growing need for energy by the human society and depletion of conventional energy sources demands a renewable, safe, infinite, low-cost and omnipresent energy source. One of the most suitable ways to solve the foreseeable world’s energy crisis is to use the power of the sun. Photovoltaic devices are especially of wide interest as they can convert solar energy to electricity. Recently the best performing solar cells are silicon-based cells. However, silicon cells are expensive, rigid in structure and have a large timeline for the payback of cost and electricity. Organic photovoltaic cells are cheap, flexible and can be manufactured in a continuous process. Therefore, organic photovoltaic cells are an extremely favorable replacement. Organic photovoltaic cells utilize sunlight as energy and convert it into electricity through the use of conductive polymers/ small molecules to separate electrons and electron holes. A major challenge for these new organic photovoltaic cells is the efficiency, which is low compared with the traditional silicon solar cells. To overcome this challenge, usually two straightforward strategies have been considered: (1) reducing the band-gap of molecular donors to broaden the absorption range, which results in higher short circuit current density (JSC) of devices, and (2) lowering the highest occupied molecular orbital (HOMO) energy of molecular donors so as to increase the open-circuit voltage (VOC) of applications devices.8 Keeping in mind the cost of chemicals it is hard to try many materials on test basis. The best way is to find the suitable material in the bulk. For this purpose, we use computational approach to design molecules based on our organic chemistry knowledge and determine their physical and electronic properties. In this study, we did DFT calculations with different options to get high open circuit voltage and after getting suitable data from calculation we finally did synthesis of a novel D–π–A–π–D type low band-gap small molecular donor material (ZOPTAN-TPA). The Aarylene vinylene based bis(arylhalide) unit containing a cyanostilbene unit acts as a low-band- gap electron-accepting block, and is coupled with triphenylamine as electron-donating blocks groups. The motivation for choosing triphenylamine (TPA) as capped donor was attributed to its important role in stabilizing the separated hole from an exciton and thus improving the hole-transporting properties of the hole carrier.3 A π-bridge (thiophene) is inserted between the donor and acceptor unit to reduce the steric hindrance between the donor and acceptor units and to improve the planarity of the molecule. The ZOPTAN-TPA molecule features a low HOMO level of 5.2 eV and an optical energy gap of 2.1 eV. Champion OSCs based on a solution-processed and non-annealed active-material blend of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) and ZOPTAN-TPA in a mass ratio of 2:1 exhibits a power conversion efficiency of 1.9 % and a high open-circuit voltage of over 1.0 V.

Keywords: high open circuit voltage, donor, triphenylamine, organic solar cells

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Authors: Ravinder Kataria, Jatinder Kumar, B. S. Pabla

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Ultrasonic machining is one of the most widely used non-traditional machining processes for machining of materials that are relatively brittle, hard, and fragile such as advanced ceramics, refractories, crystals, quartz etc. Present article has been targeted at investigating the impact of different experimental conditions (power rating, cobalt content, tool material, thickness of work piece, tool geometry, and abrasive grit size) on over cut in ultrasonic drilling of WC-Co composite material. Taguchi’s L-36 orthogonal array has been employed for conducting the experiments. Significant factors have been identified using analysis of variance (ANOVA) test. The experimental results revealed that abrasive grit size and tool material are most significant factors for over cut.

Keywords: ANOVA, abrasive grit size, Taguchi, WC-Co, ultrasonic machining

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Authors: Juan Portoviejo Brito, Daniel Icaza Alvarez, Christian Castro Samaniego

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In this article, we present the modeling, simulations, and energy conversion analysis of the solar-wind system for the Quingeo Heritage Center in Ecuador. A numerical model was constructed based on the 19 equations, it was coded in MATLAB R2017a, and the results were compared with the experimental data of the site. The model is built with the purpose of using it as a computer development for the optimization of resources and designs of hybrid systems in the Parish of Quingeo and its surroundings. The model obtained a fairly similar pattern compared to the data and curves obtained in the field experimentally and detailed in manuscript. It is important to indicate that this analysis has been carried out so that in the near future one or two of these power generation systems can be exploited in a massive way according to the budget assigned by the Parish GAD of Quingeo or other national or international organizations with the purpose of preserving this unique colonial helmet in Ecuador.

Keywords: hybrid system, wind turbine, modeling, simulation, Smart Grid, Quingeo Azuay Ecuador

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Authors: Mohammad Arabi

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Business Process Reengineering (BPR) is a systematic approach to fundamentally redesign organizational processes to achieve significant improvements in organizational performance. At Fars Regional Electric Company, implementing BPR is deemed essential to increase productivity, reduce costs, and improve service quality. This article examines how BPR can help enhance the performance of Fars Regional Electric Company. The objective of this research is to evaluate and analyze the advancements in process modeling and reengineering at Fars Regional Electric Company and to provide solutions for improving the productivity and efficiency of organizational processes. This study aims to demonstrate how BPR can be used to improve organizational processes and enhance the overall performance of the company. This research employs both qualitative and quantitative research methods and includes interviews with senior managers and experts at Fars Regional Electric Company. The analytical tools include process modeling software such as Bizagi and ARIS, and statistical analysis software such as SPSS and Minitab. Data analysis was conducted using advanced statistical methods. The results indicate that the use of BPR techniques can lead to a significant reduction in process execution time and overall improvement in quality. Implementing BPR at Fars Regional Electric Company has led to increased productivity, reduced costs, and improved overall performance of the company. This study shows that with proper implementation of BPR and the use of modeling tools, the company can achieve significant improvements in its processes. Recommendations: (1) Continuous Training for Staff: Invest in continuous training of staff to enhance their skills and knowledge in BPR. (2) Use of Advanced Technologies: Utilize modeling and analysis software to improve processes. (3) Implementation of Effective Management Systems: Employ knowledge and information management systems to enhance organizational performance. (4) Continuous Monitoring and Review of Processes: Regularly review and revise processes to ensure ongoing improvements. This article highlights the importance of improving organizational processes at Fars Regional Electric Company and recommends that managers and decision-makers at the company seriously consider reengineering processes and utilizing modeling technologies to achieve developmental goals and continuous improvement.

Keywords: business process reengineering, electric company, Fars province, process modeling advancements

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Authors: Hanbey Hazar, Hakan Gul

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In this study; piston, exhaust, and suction valves of a diesel engine were coated in 300 mm thickness with Tungsten Carbide (WC) by using the HVOF coating method. Mathematical modeling of a coated and uncoated (standardized) engine was performed by using ANN (Artificial Neural Networks). The purpose was to decrease the number of repetitions of tests and reduce the test cost through mathematical modeling of engines by using ANN. The results obtained from the tests were entered in ANN and therefore engines' values at all speeds were estimated. Results obtained from the tests were compared with those obtained from ANN and they were observed to be compatible. It was also observed that, with thermal barrier coating, hydrocarbon (HC), carbon monoxide (CO), and smoke density values of the diesel engine decreased; but nitrogen oxides (NOx) increased. Furthermore, it was determined that results obtained through mathematical modeling by means of ANN reduced the number of test repetitions. Therefore, it was understood that time, fuel and labor could be saved in this way.

Keywords: Artificial Neural Network, Diesel Engine, Mathematical Modelling, Thermal Barrier Coating

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Authors: Bendjelloul Meriem, Elandaloussi El Hadj

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In this work, we studied the effectiveness of a lignocellulosic waste (wood sawdust) for the removal of cadmium Cd (II) in aqueous solution. The adsorbent material SBO-CH2-CO2Na has been prepared by alkaline pretreatment of wood sawdust followed by a chemical modification with sodium salt of chloroacetic acid. The characterization of the as-prepared material by FTIR has proven that the grafting of acetate spacer took actually place in the lignocellulosic backbone by the appearance of characteristic band of carboxylic groups in the IR spectrum. The removal study of Cd2+ by SBO-CH2-CO2Na material at the solid-liquid interface was carried out by kinetics, sorption isotherms, effect of temperature and thermodynamic parameters were evaluated. The last part of this work was dedicated to assess the regenerability of the adsorbent material after three reuse cycles. The results indicate that SBO-CH2-CO2Na matrix possesses a high effectiveness in removing Cd (II) with an adsorption capacity of 222.22 mg/g, yet a better value that those of many low-cost adsorbents so far reported in the literature. The results found in the course of this study suggest that ionic exchange is the most appropriate mechanism involved in the removal of cadmium ions.

Keywords: adsorption, cadmium, isotherms, lignocellulosic, regenerability

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Authors: Strahinja Kovačević, Sanja Podunavac-Kuzmanović, Lidija Jevrić, Cristina Prandi, Piermichele Kobauri

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The present study is based on molecular modeling of a series of twelve 5-(4-substituent-phenoxy)-3-methylfuran-2(5H)-one derivatives which have potential of strigolactones mimics toward Striga hermonthica. The first step of the analysis included the calculation of molecular descriptors which numerically describe the structures of the analyzed compounds. The descriptors ALOGP (lipophilicity), AClogS (water solubility) and BBB (blood-brain barrier penetration), served as the input variables in multiple linear regression (MLR) modeling of germination activity toward S. hermonthica. Two MLR models were obtained. The first MLR model contains ALOGP and AClogS descriptors, while the second one is based on these two descriptors plus BBB descriptor. Despite the braking Topliss-Costello rule in the second MLR model, it has much better statistical and cross-validation characteristics than the first one. The ALOGP and AClogS descriptors are often very suitable predictors of the biological activity of many compounds. They are very important descriptors of the biological behavior and availability of a compound in any biological system (i.e. the ability to pass through the cell membranes). BBB descriptor defines the ability of a molecule to pass through the blood-brain barrier. Besides the lipophilicity of a compound, this descriptor carries the information of the molecular bulkiness (its value strongly depends on molecular bulkiness). According to the obtained results of MLR modeling, these three descriptors are considered as very good predictors of germination activity of the analyzed compounds toward S. hermonthica seeds. This article is based upon work from COST Action (FA1206), supported by COST (European Cooperation in Science and Technology).

Keywords: chemometrics, germination activity, molecular modeling, QSAR analysis, strigolactones

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Authors: Farzingohar Mehrnaz, Yasemi Mehran, Esmaili Zinat, Baharlouian Maedeh

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Aboozar (Ardeshir) and Bahregansar are the two important Iranian oilfields in Persian Gulf waters. The operation activities cause to create spills which impacted on the marine environment. Assumed spills are molded by ADIOS II (Automated Data Inquiry for Oil Spills) which is NOAA’s weathering oil software. Various atmospheric and marine data with different oil types are used for the modeling. Numerous scenarios for 100 bbls with mean daily air temperature and wind speed are input for 5 days. To find the model sensitivity in each setting, one parameter is changed, but the others stayed constant. In both fields, the evaporated and dispersed output values increased hence the remaining rate is reduced. The results clarified that wind speed first, second air temperature and finally oil type respectively were the most effective factors on the oil weathering process. The obtained results can help the emergency systems to predict the floating (dispersed and remained) volume spill in order to find the suitable cleanup tools and methods.

Keywords: ADIOS, modeling, oil spill, sensitivity analysis

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Authors: Djamel Djeghader, Bachir Redjel

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The composite materials of glass fibers can be used as a repair material for damage elements under repeated stresses, and in various environments. A cyclic bending characterization of a glass/polyester composite material was carried out with consideration of the period of immersion in water. These tests describe the behavior of materials and identify the mechanical fatigue characteristics using the Wohler Curve for different immersion time: 0, 90, 180 and 270 days in water. These curves are characterized by a dispersion in the lifetimes were modeled by straight whose intercepts are very similar and comparable to the static strength. This material deteriorates fatigue at a constant rate, which increases with increasing immersion time in water at a constant speed. The endurance limit seems to be independent of the immersion time in the water.

Keywords: fatigue, composite, glass, polyester, immersion, wohler

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Authors: Kiatnarong Supapanmanee, Ekkarin Phongphinittana, Pongsak Nimdum

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Natural fibers are readily available raw materials that are widely used as composite materials. The most common problem facing many researchers with composites made from this fiber is the adhesion between the natural fiber contact surface and the matrix material. Part of the problem is due to the hydrophilic properties of natural fibers and the hydrophobic properties of the matrix material. Based on the aforementioned problems, this research selected bamboo fiber, which is a strong natural fiber in the research study. The first step was to study the effect of the mechanical properties of the pure bamboo strip by testing the tensile strength of different measurement lengths. The bamboo strip was modified surface with sodium hydroxide (NaOH) at 6wt% concentrations for different soaking periods. After surface modification, the physical and mechanical properties of the pure bamboo strip fibers were studied. The modified and unmodified bamboo strips were molded into a composite material using epoxy as a matrix to compare the mechanical properties and adhesion between the fiber surface and the material with tensile and bending tests. In addition, the results of these tests were compared with the finite element method (FEM). The results showed that the length of the bamboo strip affects the strength of the fibers, with shorter fibers causing higher tensile stress. Effects of surface modification of bamboo strip with NaOH, this chemical eliminates lignin and hemicellulose, resulting in the smaller dimension of the bamboo strip and increased density. From the pretreatment results above, it was found that the treated bamboo strip and composite material had better Ultimate tensile stress and Young's modulus. Moreover, that results in better adhesion between bamboo fiber and matrix material.

Keywords: bamboo fiber, bamboo strip, composite material, bamboo composite, pure bamboo, surface modification, mechanical properties of bamboo, bamboo finite element method

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Authors: Sushma Ghogale

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With a surge in user-generated content or feedback or reviews on the internet, it has become possible and important to know consumers' opinions about products and services. This data is important for both potential customers and businesses providing the services. Data from social media is attracting significant attention and has become the most prominent channel of expressing an unregulated opinion. Prospective customers look for reviews from experienced customers before deciding to buy a product or service. Several websites provide a platform for users to post their feedback for the provider and potential customers. However, the biggest challenge in analyzing such data is in extracting latent features and providing term-level analysis of the data. This paper proposes an approach to use topic modeling to classify the reviews into topics and conduct sentiment analysis to mine the opinions. This approach can analyse and classify latent topics mentioned by reviewers on business sites or review sites, or social media using topic modeling to identify the importance of each topic. It is followed by sentiment analysis to assess the satisfaction level of each topic. This approach provides a classification of hotel reviews using multiple machine learning techniques and comparing different classifiers to mine the opinions of user reviews through sentiment analysis. This experiment concludes that Multinomial Naïve Bayes classifier produces higher accuracy than other classifiers.

Keywords: latent Dirichlet allocation, topic modeling, text classification, sentiment analysis

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Authors: Adil A. Mohammed, Seif-Eddeen K. Fateen, Tamer S. Ahmed, Tarek M. Moustafa

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Falling film were widely used for gas-liquid absorption and reaction process. Modeling of falling film for oligomerization of ethylene reaction to linear alpha olefins is developed. Although there are many researchers discuss modeling of falling film in many processes, there has been no publish study the simulation of falling film for the oligomerization of ethylene reaction to produce linear alpha olefins. The Comsol multiphysics software was used to simulate the mass transfer with chemical reaction in falling film absorption process. The effect of concentration profile absorption of the products through falling thickness is discussed. The effect of catalyst concentration, catalyst/co-catalyst ratio, and temperature is also studied. For the effect of the temperature, as it increase the concentration of C4 increase. For catalyst concentration and catalyst/co-catalyst ratio as they increases the concentration of C4 increases, till it reached almost constant value.

Keywords: falling film, oligomerization, comsol mutiphysics, linear alpha olefins

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Authors: Maria Miranda-Medina, Sara Salopek, Andras Vernes, Martin Jech

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Sliding lubricated surfaces induce the formation of tribofilms that reduce friction, wear and prevent large-scale damage of contact parts. Engine oils and lubricants use antiwear and antioxidant additives such as zinc dialkyldithiophosphate (ZDDP) from where protective tribofilms are formed by degradation. The ZDDP tribofilms are described as a two-layer structure composed of inorganic polymer material. On the top surface, the long chain polyphosphate is a zinc phosphate and in the bulk, the short chain polyphosphate is a mixed Fe/Zn phosphate with a gradient concentration. The polyphosphate chains are partially adherent to steel surface through a sulfide and work as anti-wear pads. In this contribution, ZDDP tribofilms formed on gray cast iron surfaces are studied. The tribofilms were generated in a reciprocating sliding tribometer with a piston ring-cylinder liner configuration. Fully formulated oil of SAE grade 5W-30 was used as lubricant during two tests at 40Hz and 50Hz. For the estimation of the tribofilm thicknesses, spectroscopic ellipsometry was used due to its high accuracy and non-destructive nature. Ellipsometry works under an optical principle where the change in polarisation of light reflected by the surface, is associated with the refractive index of the surface material or to the thickness of the layer deposited on top. Ellipsometrical responses derived from tribofilms are modelled by effective medium approximation (EMA), which includes the refractive index of involved materials, homogeneity of the film and thickness. The materials composition was obtained from x-ray photoelectron spectroscopic studies, where the presence of ZDDP, O and C was confirmed. From EMA models it was concluded that tribofilms formed at 40 Hz are thicker and more homogeneous than the ones formed at 50 Hz. In addition, the refractive index of each material is mixed to derive an effective refractive index that describes the optical composition of the tribofilm and exhibits a maximum response in the UV range, being a characteristic of glassy semitransparent films.

Keywords: effective medium approximation, reciprocating sliding tribometer, spectroscopic ellipsometry, zinc dialkyldithiophosphate

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Authors: M. Aboudalle, Le Btth, M. Sari, F. Meftah

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In parallel with the appearance of new materials, brick masonry had and still has an essential part of the construction market today, with new technical challenges in designing bricks to meet additional requirements. Being used in structural applications, predicting the performance of clay brick masonry allows a significant cost reduction, in terms of practical experimentation. The behavior of masonry walls depends on the behavior of their elementary components, such as bricks, joints, and coatings. Therefore, it is necessary to consider it at different scales (from the scale of the intrinsic material to the real scale of the wall) and then to develop appropriate models, using numerical simulations. The work presented in this paper focuses on the mechanical characterization of the terracotta material at ambient temperature. As a result, the static Young’s modulus obtained from the flexural test shows different values in comparison with the compression test, as well as with the dynamic Young’s modulus obtained from the Impulse excitation of vibration test. Moreover, the Young's modulus varies according to the direction in which samples are extracted, where the values in the extrusion direction diverge from the ones in the orthogonal directions. Based on these results, hollow bricks can be considered as transversely isotropic bimodulus material.

Keywords: bimodulus material, hollow clay brick, ımpulse excitation of vibration, transversely isotropic material, young’s modulus

Procedia PDF Downloads 191

Authors: Zhongnan Ye, Xiaoyi Liu, Shu-Chien Hsu

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Rapid urbanization has led to a significant increase in construction and demolition waste (C&D waste), underscoring the need for sustainable waste management strategies in the construction industry. Aiming to enhance the sustainability of urban construction practices, this study develops an optimization model to effectively suggest the optimal recycling and reuse strategies for C&D waste, including concrete and steel. By employing Life Cycle Assessment (LCA), the model evaluates the environmental impacts of adopted construction materials throughout their lifecycle. The model optimizes the quantity of materials to recycle or reuse, the selection of specific recycling and reuse processes, and logistics decisions related to the transportation and storage of recycled materials with the objective of minimizing the overall environmental impact, quantified in terms of carbon emissions, energy consumption, and associated costs, while adhering to a range of constraints. These constraints include capacity limitations, quality standards for recycled materials, compliance with environmental regulations, budgetary limits, and temporal considerations such as project deadlines and material availability. The strategies are expected to be both cost-effective and environmentally beneficial, promoting a circular economy within the construction sector, aligning with global sustainability goals, and providing a scalable framework for managing construction waste in densely populated urban environments. The model is helpful in reducing the carbon footprint of construction projects, conserving valuable resources, and supporting the industry’s transition towards a more sustainable future.

Keywords: circular construction, construction and demolition waste, material recycling, optimization modeling

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Authors: Biruk Wolde, Atalay Ayele, Yonatan Garkabo, Trufat Hailmariam, Zemenu Germewu

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A comprehensive three-dimensional (3D) geological modeling and engineering geological characterization of shallow subsurface soils and rocks are essential for a wide range of geotechnical and seismological engineering applications, particularly in urban environments. The spatial distribution and geological variation of the shallow subsurface of Addis Ababa city have not been studied so far in terms of geological and geotechnical modeling. This study aims at the construction of a 3D geological model, as well as provides awareness into the engineering geological characteristics of shallow subsurface soil and rock of Addis Ababa city. The 3D geological model was constructed by using more than 1500 geotechnical boreholes, well-drilling data, and geological maps. A well-known geostatistical kriging 3D interpolation algorithm was applied to visualize the spatial distribution and geological variation of the shallow subsurface. Due to the complex nature of geological formations, vertical and lateral variation of the geological profiles horizons-solid command has been selected via the Groundwater Modelling System (GMS) graphical user interface software. For the engineering geological characterization of typical soils and rocks, both index and engineering laboratory tests have been used. The geotechnical properties of soil and rocks vary from place to place due to the uneven nature of subsurface formations observed in the study areas. The constructed model ascertains the thickness, extent, and 3D distribution of the important geological units of the city. This study is the first comprehensive research work on 3D geological modeling and subsurface characterization of soils and rocks in Addis Ababa city, and the outcomes will be important for further future research on subsurface conditions in the city. Furthermore, these findings provide a reference for developing a geo-database for the city.

Keywords: 3d geological modeling, addis ababa, engineering geology, geostatistics, horizons-solid

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Authors: Shun-Qi Zhang, Shu-Yang Zhang, Min Chen, , Jing Bai

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Piezoelectric laminated smart structures can be subjected to the strong driving electric field, which may result in large displacements and rotations. In one hand, piezoelectric materials usually behave very significant material nonlinear effects under strong electric fields. On the other hand, thin-walled structures undergoing large displacements and rotations exist nonnegligible geometric nonlinearity. In order to give a precise prediction of piezo laminated smart structures under the large electric field, this paper develops a finite element (FE) model accounting for material nonlinearity (piezoelectric part) and geometric nonlinearity based on the first order shear deformation (FSOD) hypothesis. The proposed FE model is first validated by both experimental and numerical examples from the literature. Afterwards, it is applied to simulate for plate and shell structures with multiple piezoelectric patches under the strong applied electric field. From the simulation results, it shows that large discrepancies occur between linear and nonlinear predictions for piezoelectric laminated structures driving at the strong electric field. Therefore, both material and geometric nonlinearities should be taken into account for piezoelectric structures under strong electric.

Keywords: piezoelectric smart structures, finite element analysis, geometric nonlinearity, electroelastic material nonlinearities

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Authors: Uday Shanker Goel, Vinay Vasant Mahashabde, Biswajit Ghosh, Arvind Jha, Amit Kumar, Sanjay Kumar Patel, Uma Shanker Pattanaik, Vinit Kumar Shah, Chaitanya Bhanu

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Pinch rolls of the Hot Mills must possess resistance to wear, thermal stability, high thermal conductivity and through hardness. Conventionally, pinch rolls have been procured either as new ones or refurbished ones. Discarded Work Rolls from the Cold Mill were taken and machined inhouse at Tata Steel to be used subsequently as the bottom pinch rolls of the Hot Mill. The hardness of the scrapped work rolls from CRM is close to 55HRC and the typical composition is ( C - 0.8% , Mn - 0.40 % , Si - 0.40% , Cr - 3.5% , Mo - 0.5% & V - 0.1% ).The Innovation was the use of a roll which would otherwise have been otherwise discarded as scrap. Also, the innovation helped in using the scrapped roll which had better wear and heat resistance. In a conventional Pinch roil (Hardness 50 HRC and typical chemistry - C - 10% , Mo+Co+V+Nb ~ 5 % ) , Pick-up is a condition whereby foreign material becomes adhered to the surface of the pinch roll during service. The foreign material is usually adhered metal from the actual product being rolled. The main attributes of the weld overlay rolls are wear resistance and crack resistance. However, the weld overlay roll has a strong tendency for strip pick-up particularly in the area of bead overlap. However, the greatest disadvantage is the depth of weld deposit, which is less than half of the usable shell thickness in most mills. Because of this, the stainless rolls require re-welding on a routine basis. By providing a significantly cheaper in house and more robust alternative of the existing bottom pinch rolls , this innovation results in significant lower worries for the roll shop. Pinch rolls now don't have to be sent outside Jamshedpur for refurbishment or for procuring new ones. Scrapped rolls from adjacent Cold Mill are procured and sent for machining to our Machine Shop inside Tata Steel works in Jamshedpur. This is far more convenient than the older methodology. The idea is also being deployed to the other hot mills of Tata Steel. Multiple campaigns have been tried out at both down coilers of Hot Strip with significantly lower wear.

Keywords: hot rolling flat, cold mill work roll, hot strip pinch roll, strip surface

Procedia PDF Downloads 118