Search results for: mechanism properties
11062 Utilization of Discarded PET and Concrete Aggregates in Construction Causes: A Green Approach
Authors: Arjun, A. D. Singh
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The purpose of this study is to resolve the solid waste problems caused by plastics and concrete demolition as well. In order to that mechanical properties of polymer concrete; in particular, polymer concrete made of unsaturated polyester resins from recycled polyethylene terephthalate (PET) plastic waste and recycled concrete aggregates is carried out. Properly formulated unsaturated polyester based on recycled PET is mixed with inorganic aggregates to produce polymer concrete. Apart from low manufacturing cost, polymer concrete blend has acceptable properties, to go through it. The prior objectives of the paper is to investigate the mechanical properties, i.e. compressive strength, splitting tensile strength, and the flexural strength of polymer concrete blend using an unsaturated polyester resin based on recycled PET. The relationships between the mechanical properties are also analyzed.Keywords: polyethylene terephthalate (PET), concrete aggregates, compressive strength, splitting tensile strength
Procedia PDF Downloads 56711061 Electrical and Magnetic Properties of Neodymium and Erbium Doped Bismuth Ferrite Multifunctional Materials for Spintronic Devices
Authors: Ravinder Dachepalli, Naveena Gadwala, K. Vani
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Nd and Er substituted bismuth nano crystalline multifunctional materials were prepared by citrate gel autocombution technique. The structural characterization was carried out by XRD and SEM. Electrical properties such are electrical conductivity and dielectric properties have been measured. Plots of electrical conductivity versus temperature increases with increasing temperature and shown a transition near Curie temperature. Dielectric properties such are dielectric constant and dielectric loss tangent have been measured from 20Hz to 2 MHz at room temperature. Plots of dielectric constant versus frequency show a normal dielectric behaviour of multifunctional materials. Temperature dependence of magnetic properties of Bi-Nd and Bi-Er multi-functional materials were carried out by using Vibrating sample magnetometer (VSM). The magnetization as a function of an applied field ±100 Oe was carried out at 3K and 360 K. Zero field Cooled (ZFC) and Field Cooled (FC) magnetization measurements under an applied field of 100Oe a in the temperature range of 5-375K. The observed results can be explained for spintronic devices.Keywords: Bi-Nd and Bi-Er Multifunctional Materia, Citrate Gel Auto combustion Technique, FC-ZFC magnetization, Dielectric constant
Procedia PDF Downloads 40011060 Development of Impressive Tensile Properties of Hybrid Rolled Ta0.5Nb0.5Hf0.5ZrTi1.5 Refractory High Entropy Alloy
Authors: M. Veeresham
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The microstructure, texture, phase stability, and tensile properties of annealed Ta0.5Nb0.5Hf0.5ZrTi1.5 alloy have been investigated in the present research. The alloy was severely hybrid-rolled up to 93.5% thickness reduction, subsequently rolled samples subjected to an annealing treatment at 800 °C and 1000 °C temperatures for 1 h. Consequently, the rolled condition and both annealed temperatures have a body-centered cubic (BCC) structure. Furthermore, quantitative texture measurements (orientation distribution function (ODF) analysis) and microstructural examinations (analytical electron backscatter diffraction (EBSD) maps) permitted to establish a good relationship between annealing texture and microstructure and universal testing machine (UTM) utilized for obtaining the mechanical properties. Impressive room temperature tensile properties combination with the tensile strength (1380 MPa) and (24.7%) elongation is achieved for the 800 °C heat-treated condition. The evolution of the coarse microstructure featured in the case of 1000 °C annealed temperature ascribed to the influence of high thermal energy.Keywords: refractory high entropy alloys, hybrid-rolling, recrystallization, microstructure, tensile properties
Procedia PDF Downloads 14311059 Molecular Dynamics Simulations of the Structural, Elastic, and Thermodynamic Properties of Cubic AlBi
Authors: M. Zemouli, K. Amara, M. Elkeurti, Y. Benallou
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We present a theoretical study of the structural, elastic and thermodynamic properties of the zinc-blende AlBi for a wide temperature range. The simulation calculation is performed in the framework of the molecular dynamics method using the three-body Tersoff potential which reproduces provide, with reasonable accuracy, the lattice constants and elastic constants. Our results for the lattice constant, the bulk modulus and cohesive energy are in good agreement with other theoretical available works. Other thermodynamic properties such as the specific heat and the lattice thermal expansion can also be predicted. In addition, this method allows us to check its ability to predict the phase transition of this compound. In particular, the transition pressure to the rock-salt phase is calculated and the results are compared with other available works.Keywords: aluminium compounds, molecular dynamics simulations, interatomic potential, thermodynamic properties, structural phase transition
Procedia PDF Downloads 30511058 Mechanical Properties of Sugar Palm Fibre Reinforced Thermoplastic Polyurethane Composites
Authors: Dandi Bachtiar, Mohammed Ausama Abbas, Januar Parlaungan Siregar, Mohd Ruzaimi Bin Mat Rejab
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Short sugar palm fibre and thermoplastic polyurethane were combined to produce new composites by using the extrude method. Two techniques used to prepare a new composite material, firstly, extrusion of the base material with short fibre, secondly hot pressing them. The size of sugar palm fibre was fixed at 250µm. Different weight percent (10 wt%, 20 wt% and 30 wt%) were used in order to optimise preparation process. The optimization of process depended on the characterization mechanical properties such as impact, tensile, and flexural of the new (TPU/SPF) composite material. The results proved that best tensile and impact properties of weight additive fibre applied 10 wt%. There was an increasing trend recorded of flexural properties during increased the fibre loading. Meanwhile, the maximum tensile strength was 14.0 MPa at 10 wt% of the fibre. Moreover, there was no significant effect for additions more than 30 wt% of the fibre.Keywords: composites, natural fibre, polyurethane, sugar palm
Procedia PDF Downloads 38411057 Characteristics Flakes Product with Dry Residue of Wild Orenago
Authors: Kosutic Milenko, Filipovic Jelena
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Cereals constitute the staple food of the human race. In accordance with the modern nutritionist opinions, cereal products, flakes and snack products are the most common foods in the daily diet, such as ready to eat breakfast cereal, flakes, and snacks. Extrusion technology makes it possible to apply different sources of ingredients for the enrichment of cereal-based flakes or snacks products. Substances with strong antioxidant properties such as wild oregano have a positive impact on human health, therefore attracting the attention of scientists, consumers and food industry experts. This paper investigates the effects of simultaneous addition of dry residue of wild oregano (0.5% and 1%), on the physical and colour properties of corn flakes to obtain new products with altered nutritional properties. Post-hoc Tukey’s HSD test at 95% confidence limit showed significant differences between various samples. Addition of dry residue wild oregano positively influenced physical characteristics (decreased bulk density 30.2%, increased expansion rate 44.9%), influenced of decrease hardness 38.1% and work of compression 40.3% also significantly change the color of flakes product. Presented data point that investigated corn flakes is a new product with good physical and sensory properties due to higher level of dry residue of wild oregano.Keywords: flakes product, wild oregano, phisical properties, colour, sensory properties
Procedia PDF Downloads 32211056 Characterization of Calcined Clay Blended Self Compacting Concrete-Correlation between Super-Plasticizer Dosage and Self Compacting Concrete Properties
Authors: Kumator Josiphiah Taku
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Sustainability in construction is essential to the economic construction and can be achieved by the use of locally available construction materials. This research work, thus, uses locally available materials –calcined clay and Sandcrete SPR-300 superplasticizer in the production of Self Compacting Concrete (SCC) by investigating the correlation between the superplasticizer dosage and the fresh and hardened states properties of a grade 50 SCC made by incorporating a Calcined Clay (CC) – Portland Limestone Cement (PLC) blend as the cementitious matter at 20% replacement of PLC with CC and using CC as filler. The superplasticizer dosage was varied from 0.4 to 3.0% by weight of cementitious material and the slump, v-funnel, L-box and strength parameters investigated. The result shows a positive correlation between the increased dosage of the superplasticizer and the fresh and hardened states properties of the SCC up to 2% dosage. The J¬Spread¬, t¬500J¬, Slump flow, L-box H¬2¬/H¬1 ¬ratio and strength, all increases with SP dosage while the V-funnel flow decreased with SP dosage. Overall, SP ratio of 0.5 to 2.0 can be used in improving the properties of SCC produced using calcined clay both as filler and cementitious material.Keywords: calcined clay, compressive strength, fresh-state properties of SCC, self compacting concrete, superplasticizer dosage
Procedia PDF Downloads 16611055 Elucidation of the Photoreactivity of 2-Hydroxychalcones and the Effect of Continuous Photoflow Method on the Photoreactivity
Authors: Sobiya George, Anna Dora Gudmundsdottir
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The 2-hydroxychalcones form an important group of organic compounds not only because of their pharmacological properties but also because they are intermediates in the biosynthesis of flavanones. We studied the photoreactivity of 2-hydroxychalcone derivatives in aprotic solvent acetonitrile and found that their photochemistry is concentration-dependent. Irradiation of 2-hydroxychalcone derivatives with 365 nm light emitting diode (LED) in dilute concentration selectively forms flavanones, whereas, at higher concentrations, an additional photoproduct is observed. However, the application of the continuous photo-flow method resulted in the selective formation of flavanones even at higher concentrations. To understand the reaction mechanism and explain the concentration-dependent photoreactivity of 2-hydroxychalcones, we preformed trapping studies with tris(trimethylsilyl)silane, nanosecond laser flash photolysis, and time dependent-density functional theory (TD-DFT) calculations.Keywords: flavanones, hydroxychalcones, laser flash photolysis, TD-DFT calculations
Procedia PDF Downloads 14911054 Off-Policy Q-learning Technique for Intrusion Response in Network Security
Authors: Zheni S. Stefanova, Kandethody M. Ramachandran
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With the increasing dependency on our computer devices, we face the necessity of adequate, efficient and effective mechanisms, for protecting our network. There are two main problems that Intrusion Detection Systems (IDS) attempt to solve. 1) To detect the attack, by analyzing the incoming traffic and inspect the network (intrusion detection). 2) To produce a prompt response when the attack occurs (intrusion prevention). It is critical creating an Intrusion detection model that will detect a breach in the system on time and also challenging making it provide an automatic and with an acceptable delay response at every single stage of the monitoring process. We cannot afford to adopt security measures with a high exploiting computational power, and we are not able to accept a mechanism that will react with a delay. In this paper, we will propose an intrusion response mechanism that is based on artificial intelligence, and more precisely, reinforcement learning techniques (RLT). The RLT will help us to create a decision agent, who will control the process of interacting with the undetermined environment. The goal is to find an optimal policy, which will represent the intrusion response, therefore, to solve the Reinforcement learning problem, using a Q-learning approach. Our agent will produce an optimal immediate response, in the process of evaluating the network traffic.This Q-learning approach will establish the balance between exploration and exploitation and provide a unique, self-learning and strategic artificial intelligence response mechanism for IDS.Keywords: cyber security, intrusion prevention, optimal policy, Q-learning
Procedia PDF Downloads 23611053 Thermal Cracking Approach Investigation to Improve Biodiesel Properties
Authors: Roghaieh Parvizsedghy, Seyyed Mojtaba Sadrameli
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Biodiesel as an alternative diesel fuel is steadily gaining more attention and significance. However, there are some drawbacks while using biodiesel regarding its properties that requires it to be blended with petrol based diesel and/or additives to improve the fuel characteristics. This study analyses thermal cracking as an alternative technology to improve biodiesel characteristics in which, FAME based biodiesel produced by transesterification of castor oil is fed into a continuous thermal cracking reactor at temperatures range of 450-500°C and flowrate range of 20-40 g/hr. Experiments designed by response surface methodology and subsequent statistical studies show that temperature and feed flowrate significantly affect the products yield. Response surfaces were used to study the impact of temperature and flowrate on the product properties. After each experiment, the produced crude bio-oil was distilled and diesel cut was separated. As shorter chain molecules are produced through thermal cracking, the distillation curve of the diesel cut fitted more with petrol based diesel curve in comparison to the biodiesel. Moreover, the produced diesel cut properties adequately pose within property ranges defined by the related standard of petrol based diesel. Cold flow properties, high heating value as the main drawbacks of the biodiesel are improved by this technology. Thermal cracking decreases kinematic viscosity, Flash point and cetane number.Keywords: biodiesel, castor oil, fuel properties, thermal cracking
Procedia PDF Downloads 26011052 Water Temperature on Early Age Concrete Property
Authors: Tesfaye Sisay Dessalegn
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The long-term performance of concrete structures is affected by the properties and behavior of concrete at an early age. However, the fundamental mechanisms affecting the early-age behavior of concrete have not yet been fully studied. The effect of water temperature on concrete is not sufficiently studied, and at the same time, the majority of studies focused on the effect of mixing water temperature on the workability and mechanical properties of concrete. However, to the best of the authors' knowledge, the effect of mixing water temperatures on plastic shrinkage cracking of concrete has not been studied yet.Keywords: water temperature, early age concrete strength, mechanical properties of concrete, strength
Procedia PDF Downloads 5711051 Evaluation of the Mechanical Properties of Nano TiO2 and Clay Filler Filled Epoxy Composites
Authors: A. Mimaroglu, H. Unal
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In this study, the mechanical properties of nano filled epoxy composites were evaluated. The matrix material is epoxy. nano fillers are Al2O3, TiO2 and clay added in 2.5- 10 wt% by weight ratio. Test samples were prepared using an open mould type die. Mechanical tests were carried out. The tensile strength, elastic modulus, elongation at break and the hardness of the composite materials were obtained and evaluated. It was seen from the results that the filler content had a high influence on the level of the mechanical properties of the epoxy composites.Keywords: nano, epoxy, composite, fillers, clay
Procedia PDF Downloads 39011050 Mechanism and Kinetic of Layers Growth: Application to Nitriding of 32CrMoV13 Steel
Authors: Torchane Lazhar
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In this work, our task consists in optimizing the nitriding treatment at low-temperature of the steel 32CrMoV13 by the way of the mixtures of ammonia gas, nitrogen and hydrogen to improve the mechanical properties of the surface (good wear resistance, friction and corrosion), and of the diffusion layer of the nitrogen (good resistance to fatigue and good tenacity with heart). By limiting our work to the pure iron and to the alloys iron-chromium and iron-chrome-carbon, we have studied the various parameters which manage the nitriding: flow rate and composition of the gaseous phase, the interaction chromium-nitrogen and chromium-carbon by the help of experiments of nitriding realized in the laboratory by thermogravimetry. The acquired knowledge have been applied by the mastery of the growth of the combination layer on the diffusion layer in the case of the industrial steel 32CrMoV13.Keywords: diffusion of nitrogen, gaseous nitriding, layer growth kinetic, steel
Procedia PDF Downloads 41211049 The Influence of Zeolitic Spent Refinery Admixture on the Rheological and Technological Properties of Steel Fiber Reinforced Self- Compacting Concrete
Authors: Žymantas Rudžionis, Paulius Grigaliūnas, Danutė Vaičiukynienė
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By planning this experimental work to investigate the effect of zeolitic waste on rheological and technological properties of self-compacting fiber reinforced concrete, we had an intention to draw attention to the environmental factor. Large amount of zeolitic waste, as a secondary raw materials are not in use properly and large amount of it is collected without a clear view of it’s usage in future. The principal aim of this work is to assure, that zeolitic waste admixture takes positive effect to the self-compacting fiber reinforced concrete mixes stability, flowability and other properties by using the experimental research methods. In addition to that a research on cement and zeolitic waste mortars were implemented to clarify the effect of zeolitic waste on properties of cement paste and stone. Primary studies indicates that zeolitic waste characterizes clear puzzolanic behavior, do not deteriorate and in some cases ensure positive rheological and mechanical characteristics of self-compacting concrete mixes.Keywords: self compacting concrete, steel fiber reinforced concrete, zeolitic waste, rheological, properties of concrete, slump flow
Procedia PDF Downloads 36611048 Enhancement of Mechanical Properties and Thermal Conductivity of Oil Palm Shell Lightweight Concrete Reinforced with High Performance Polypropylene Fibres
Authors: Leong Tatt Loh, Ming Kun Yew, Ming Chian Yew, Lip Huat Saw, Jing Han Beh, Siong Kang Lim, Foo Wei Lee
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Oil palm shell (OPS) is the solid waste product from the palm oil sector of the agricultural industry and can be used as alternative coarse aggregates to substitute depleting conventional raw materials. This research aims to investigate the incorporation of various high-performance polypropylene (HPP) fibres with different geometry to enhance the mechanical properties and thermal conductivity of OPS lightweight concrete. The effect of different volume fractions (Vf) (0.05%, 0.10% and 0.15%) were studied for each fibre. The results reveal that the effectiveness of HPP fibres to increase the compressive strength at later ages was more pronounced than at early age. It is found that the use of HPP fibres reinforced OPS lightweight concrete (LWC) induced the advantageous of improving mechanical properties (compressive strength, flexural strength and splitting tensile strength) and thermal conductivity. Hence, this HPP fibres is a promising alternative solution to compensate lower mechanical properties as well as contribute to energy efficiency building material in the construction industry.Keywords: oil palm shell, high performance polypropylene fibre, lightweight concrete, mechanical properties, thermal conductivity
Procedia PDF Downloads 20711047 Properties of Self-Compacting Concrete Mixed with Fly Ash
Authors: Abhinandan Singh Gill, Gurbir Kaur Jawanda
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Since the introduction of self-consolidating concrete (SCC) in Japan during the late 1980’s, acceptance and usage of this concrete in the construction industry has been steadily gaining momentum. In the United States, the usage of SCC has been spearheaded by the precast concrete industry. Good SCC must possess the following key fresh properties: filling ability, passing ability, and resistance to segregation. Self-compacting concrete is one of 'the most revolutionary developments' in concrete research; this concrete is able to flow and to fill the most restocked places of the form work without vibration. There are several methods for testing its properties. In the fresh state: the most frequently used are slump flow test, L box and V-funnel. This work presents properties of self-compacting concrete, mixed with fly ash. The test results for acceptance characteristics of self-compacting concrete such as slump flow; V-funnel and L-Box are presented. Further, the compressive strength at the ages of 7, 28 days was also determined and results are included here.Keywords: compressive strength, fly ash, self-compacting concrete, slump flow test, super plasticizer
Procedia PDF Downloads 41111046 Influence of Modified and Unmodified Cow Bone on the Mechanical Properties of Reinforced Polyester Composites for Biomedical Applications
Authors: I. O. Oladele, J. A. Omotoyinbo, A. M. Okoro, A. G. Okikiola, J. L. Olajide
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This work was carried out to investigate comparatively the effects of modified and unmodified cow bone particles on the mechanical properties of polyester matrix composites in order to investigate the suitability of the materials as biomaterial. Cow bones were procured from an abattoir, sun dried for 4 weeks and crushed. The crushed bones were divided into two, where one part was turned to ash while the other part was pulverized with laboratory ball mill before the two grades were sieved using 75 µm sieve size. Bone ash and bone particle reinforced tensile and flexural composite samples were developed from pre-determined proportions of 2, 4, 6, and 8 %. The samples after curing were stripped from the moulds and were allowed to further cure for 3 weeks before tensile and flexural tests were performed on them. The tensile test result showed that, 8 wt % bone particle reinforced polyester composites has higher tensile properties except for modulus of elasticity where 8 wt % bone ash particle reinforced composites has higher value while for flexural test, bone ash particle reinforced composites demonstrate the best flexural properties. The results show that these materials are structurally compatible.Keywords: biomedical, composites, cow bone, mechanical properties, polyester, reinforcement
Procedia PDF Downloads 27911045 Using Lagrange Equations to Study the Relative Motion of a Mechanism
Authors: R. A. Petre, S. E. Nichifor, A. Craifaleanu, I. Stroe
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The relative motion of a robotic arm formed by homogeneous bars of different lengths and masses, hinged to each other is investigated. The first bar of the mechanism is articulated on a platform, considered initially fixed on the surface of the Earth, while for the second case the platform is considered to be in rotation with respect to the Earth. For both analyzed cases the motion equations are determined using the Lagrangian formalism, applied in its traditional form, valid with respect to an inertial reference system, conventionally considered as fixed. However, in the second case, a generalized form of the formalism valid with respect to a non-inertial reference frame will also be applied. The numerical calculations were performed using a MATLAB program.Keywords: Lagrange equations, relative motion, inertial reference frame, non-inertial reference frame
Procedia PDF Downloads 12211044 NOx Prediction by Quasi-Dimensional Combustion Model of Hydrogen Enriched Compressed Natural Gas Engine
Authors: Anas Rao, Hao Duan, Fanhua Ma
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The dependency on the fossil fuels can be minimized by using the hydrogen enriched compressed natural gas (HCNG) in the transportation vehicles. However, the NOx emissions of HCNG engines are significantly higher, and this turned to be its major drawback. Therefore, the study of NOx emission of HCNG engines is a very important area of research. In this context, the experiments have been performed at the different hydrogen percentage, ignition timing, air-fuel ratio, manifold-absolute pressure, load and engine speed. Afterwards, the simulation has been accomplished by the quasi-dimensional combustion model of HCNG engine. In order to investigate the NOx emission, the NO mechanism has been coupled to the quasi-dimensional combustion model of HCNG engine. The three NOx mechanism: the thermal NOx, prompt NOx and N2O mechanism have been used to predict NOx emission. For the validation purpose, NO curve has been transformed into NO packets based on the temperature difference of 100 K for the lean-burn and 60 K for stoichiometric condition. While, the width of the packet has been taken as the ratio of crank duration of the packet to the total burnt duration. The combustion chamber of the engine has been divided into three zones, with the zone equal to the product of summation of NO packets and space. In order to check the accuracy of the model, the percentage error of NOx emission has been evaluated, and it lies in the range of ±6% and ±10% for the lean-burn and stoichiometric conditions respectively. Finally, the percentage contribution of each NO formation has been evaluated.Keywords: quasi-dimensional combustion , thermal NO, prompt NO, NO packet
Procedia PDF Downloads 25111043 Production and Quality Assessment of Antioxidant-Rich Biscuit Produced from Pearl Millet and Orange Peel Flour Blends
Authors: Oloniyo Rebecca Olajumoke
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The unstable free radicals molecules oxidize cells throughout the body to cause oxidative stress, which has been implicated in the pathogenesis of many chronic diseases. Thus, the consumption of antioxidant-rich snacks could help to reduce the production of these free radicals in the body. This study aimed at producing antioxidant–rich biscuits from an underutilized pearl millet and agricultural waste from orange peel flour (PMF and OPF, respectively) blends. Biscuits were produced from PMF, and OPF blends using various proportions (95:05; 90:10; 85:15; 80:20 with 100% PMF as control. The functional properties of the flours, as well as the antioxidant properties, physical evaluation, and consumer acceptability of the biscuits, were evaluated. The functional properties of the composite flour showed an increase in oil absorption capacity (7.73-8.80 g/ml), water absorption capacity (6.82-7.21 g/ml), foaming (3.91-5.88 g/ml), and emulsification (52.85-58.82 g/ml) properties. The increased addition of OPF significantly (p<0.05) increased the antioxidant properties of the biscuits produced from the composite flour. For instance, the ferric reducing properties (0.10-0.4 mgAAE/g), total flavonoid (1.20-8.12 mg QE/g), and ABTS radical scavenging (1.17-2.19 mmol/TEAC/g) of the composite flours were increasingly comparable to those of 100% PMF. The physical parameters of the biscuit were significantly different (p<0.05) from one another. The addition of OPF into PMF reduced the weight, diameter, and spread ratio of biscuits produced while contrarily increasing the height of the biscuit. The incorporation of OPF at 5% (95:05) substitution yielded a consumedly acceptable biscuit product. The significant increase in antioxidant properties with an increase in OPF during the production of biscuits would therefore increase the nutritional value and potential health benefits.Keywords: orange peel, biscuit, antioxidant, pearl millet
Procedia PDF Downloads 9511042 The Characteristics of a Fair and Efficient Tax Auditing Information System as a Tool against Tax Evasion: A Theoretical Framework
Authors: Dimitris Balios, Stefanos Tantos
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Economic growth and social evolution are connected to trust relationships in a society. The quality of the accounting information, the tax information system and the tax audit mechanism evolve multiple benefits in an economy. Tax evasion, the illegal practice where people and companies do not pay taxes, is a crime because of the negative effect in economy and society. In this paper, we describe a theoretical framework on the characteristics of a fair and efficient tax auditing information system which could be a tool against tax evasion, a tool for an economy to grow, especially in countries that face fluctuations in economic activity. We conclude that a fair and efficient tax auditing information system increases the reliability of tax administration, improves taxpayers’ tax compliance and causes a developmental trajectory for the economy.Keywords: auditing information system, auditing mechanism, tax evasion, taxation
Procedia PDF Downloads 15411041 Investigation of Physical Properties of W-Doped CeO₂ and Mo-Doped CeO₂: A Density Functional Theory Study
Authors: Aicha Bouhlala, Sabah Chettibi
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A systematic investigation on structural, electronic, and magnetic properties of Ce₀.₇₅A₀.₂₅O₂ (A = W, Mo) is performed using first-principles calculations within the framework Full-Potential Linear Augmented Plane Wave (FP-LAPW) method based on the Density Functional Theory (DFT). The exchange-correlation potential has been treated using the generalized gradient approximation (WC-GGA) developed by Wu-Cohen. The host compound CeO2 was doped with transition metal atoms W and Mo in the doping concentration of 25% to replace the Ce atom. In structural properties, the equilibrium lattice constant is observed for the W-doped CeO₂ compound which exists within the value of 5.314 A° and the value of 5.317 A° for Mo-doped CeO2. The present results show that Ce₀.₇₅A₀.₂₅O₂ (A=W, Mo) systems exhibit semiconducting behavior in both spin channels. Although undoped CeO₂ is a non-magnetic semiconductor. The band structure of these doped compounds was plotted and they exhibit direct band gap at the Fermi level (EF) in the majority and minority spin channels. In the magnetic properties, the doped atoms W and Mo play a vital role in increasing the magnetic moments of the supercell and the values of the total magnetic moment are found to be 1.998 μB for Ce₀.₇₅W₀.₂₅O₂ and to be 2.002 μB for Ce₀.₇₅Mo₀.₂₅O₂ compounds. Calculated results indicate that the magneto-electronic properties of the Ce₁₋ₓAₓO₂(A= W, Mo) oxides supply a new way to the experimentalist for the potential applications in spintronics devices.Keywords: FP-LAPW, DFT, CeO₂, properties
Procedia PDF Downloads 21511040 Investigation of Interaction between Interferons and Polyethylene Glycol Using Molecular Dynamics Simulation
Authors: M. Dehestani, F. Kamali, M. Klantari Pour, L. Zeidabadi-Nejad
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Chemical bonding between polyethylene glycol (PEG) with pharmaceutical proteins called pegylation is one of the most effective methods of improving the pharmacological properties. The covalent attachment of polyethylene glycol (PEG) to proteins will increase their pharmacologic properties. For the formation of a combination of pegylated protein should first be activated PEG and connected to the protein. Interferons(IFNs) are a family of cytokines which show antiviral effects in front of the biological and are responsible for setting safety system. In this study, the nature and properties of the interaction between active positions of IFNs and polyethylene glycol have been investigated using molecular dynamics simulation. The main aspect of this theoretical work focuses on the achievement of valuable data on the reaction pathways of PEG-IFNs and the transition state energy. Our results provide a new perspective on the interactions, chemical properties and reaction pathways between IFNs and PEG.Keywords: interaction, interferons, molecular dynamics simulation, polyethylene glycol
Procedia PDF Downloads 24111039 Theoretical and Experimental Investigation of Fe and Ni-TCNQ on Graphene
Authors: A. Shahsavar, Z. Jakub
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Due to the outstanding properties of the 2D metal-organic frameworks (MOF), intensive computational and experimental studies have been done. However, the lack of fundamental studies of MOFs on the graphene backbone is observed. This work studies Fe and Ni as metal and tetracyanoquinodimethane (TCNQ) with a high electron affinity as an organic linker functionalized on graphene. Here we present DFT calculations results to unveil the electronic and magnetic properties of iron and nickel-TCNQ physisorbed on graphene. Adsorption and Fermi energies, structural, and magnetic properties will be reported. Our experimental observations prove Fe- and NiTCNQ@Gr/Ir(111) are thermally highly stable up to 500 and 250°C, respectively, making them promising materials for single-atom catalysts or high-density storage media.Keywords: DFT, graphene, MTCNQ, self-assembly
Procedia PDF Downloads 13211038 Attenuation of Homocysteine-Induced Cyclooxygenase-2 Expression in Human Monocytes by Fulvic Acid
Authors: Shao-Ju Chien, Yi-Chien Wu, Ting-Ying Huang, Li-Tsen Li, You-Jin Chen, Cheng-Nan Chen
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Homocysteine and pro-inflammatory mediators such as cyclooxygenase-2 (COX-2) have been linked to vascular dysfunction and risks of cardiovascular diseases. Fulvic acid (FA) is class of compounds of humic substances and possesses various pharmacological properties. However, the effect of FA on inflammatory responses of the monocytes remains unclear. We investigated the regulatory effect of FA on homocysteine-induced COX-2 expression in human monocytes. Peripheral blood monocytes and U937 cells were kept as controls or pre-treated with FA, and then stimulated with homocysteine. The results show that pretreating monocytes with FA inhibited the homocysteine-induced COX-2 expression in a dose-dependent manner. The inhibitor for nuclear factor-kB (NF-kB) attenuated homocysteine-induced COX-2 expression. Our findings provide a molecular mechanism by which FA inhibit homocysteine-induced COX-2 expression in monocytes, and a basis for using FA in pharmaceutical therapy against inflammation.Keywords: homocysteine, monocytes, cyclooxygenase-2, fulvic acid, anti-inflammation
Procedia PDF Downloads 59711037 POSS as Modifiers and Additives for Elastomer Composites
Authors: Anna Strąkowska, Marian Zaborski
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The studies were focused on POSS application with methylvinylsilicone rubber (MVQ). The obtained results indicate that they can be successfully incorporated into silica-filled rubbers as modifying agents since they enhance cross-link density and improve most properties of the resulting network. It is also worth noting that the incorporation of POSS molecules resulted in stabilizing effect against adverse changes induced by the climatic, ozone or UV ageing of the rubbers. Furthermore, we obtained interesting results of rubbers surface modification using POSS functionalised with halogen groups (Cl, F, and Br). As the results, surface energy of the elastomeric composites and their hydrophobicity increased, barrier properties improved and thermal stability increased as well. Additionally, the studies with silicone rubber and POSS containing acidic and alkaline groups revealed composites with self-healing properties. The observed effects strictly depend on a kind and quantity of functional groups present in angles of POSS cages.Keywords: elastomeric composites, POSS, properties modyfication, silicone rubber
Procedia PDF Downloads 35511036 Influence of Kneading Conditions on the Textural Properties of Alumina Catalysts Supports for Hydrotreating
Authors: Lucie Speyer, Vincent Lecocq, Séverine Humbert, Antoine Hugon
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Mesoporous alumina is commonly used as a catalyst support for the hydrotreating of heavy petroleum cuts. The process of fabrication usually involves: the synthesis of the boehmite AlOOH precursor, a kneading-extrusion step, and a calcination in order to obtain the final alumina extrudates. Alumina is described as a complex porous medium, generally agglomerates constituted of aggregated nanocrystallites. Its porous texture directly influences the active phase deposition and mass transfer, and the catalytic properties. Then, it is easy to figure out that each step of the fabrication of the supports has a role on the building of their porous network, and has to be well understood to optimize the process. The synthesis of boehmite by precipitation of aluminum salts was extensively studied in the literature and the effect of various parameters, such as temperature or pH, are known to influence the size and shape of the crystallites and the specific surface area of the support. The calcination step, through the topotactic transition from boehmite to alumina, determines the final properties of the support and can tune the surface area, pore volume and pore diameters from those of boehmite. However, the kneading extrusion step has been subject to a very few studies. It generally consists in two steps: an acid, then a basic kneading, where the boehmite powder is introduced in a mixer and successively added with an acid and a base solution to form an extrudable paste. During the acid kneading, the induced positive charges on the hydroxyl surface groups of boehmite create an electrostatic repulsion which tends to separate the aggregates and even, following the conditions, the crystallites. The basic kneading, by reducing the surface charges, leads to a flocculation phenomenon and can control the reforming of the overall structure. The separation and reassembling of the particles constituting the boehmite paste have a quite obvious influence on the textural properties of the material. In this work, we are focused on the influence of the kneading step on the alumina catalysts supports. Starting from an industrial boehmite, extrudates are prepared using various kneading conditions. The samples are studied by nitrogen physisorption in order to analyze the evolution of the textural properties, and by synchrotron small-angle X-ray scattering (SAXS), a more original method which brings information about agglomeration and aggregation of the samples. The coupling of physisorption and SAXS enables a precise description of the samples, as same as an accurate monitoring of their evolution as a function of the kneading conditions. These ones are found to have a strong influence of the pore volume and pore size distribution of the supports. A mechanism of evolution of the texture during the kneading step is proposed and could be attractive in order to optimize the texture of the supports and then, their catalytic performances.Keywords: alumina catalyst support, kneading, nitrogen physisorption, small-angle X-ray scattering
Procedia PDF Downloads 25311035 Hazardous Effects of Metal Ions on the Thermal Stability of Hydroxylammonium Nitrate
Authors: Shweta Hoyani, Charlie Oommen
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HAN-based liquid propellants are perceived as potential substitute for hydrazine in space propulsion. Storage stability for long service life in orbit is one of the key concerns for HAN-based monopropellants because of its reactivity with metallic and non-metallic impurities which could entrain from the surface of fuel tanks and the tubes. The end result of this reactivity directly affects the handling, performance and storability of the liquid propellant. Gaseous products resulting from the decomposition of the propellant can lead to deleterious pressure build up in storage vessels. The partial loss of an energetic component can change the ignition and the combustion behavior and alter the performance of the thruster. The effect of largely plausible metals- iron, copper, chromium, nickel, manganese, molybdenum, zinc, titanium and cadmium on the thermal decomposition mechanism of HAN has been investigated in this context. Studies involving different concentrations of metal ions and HAN at different preheat temperatures have been carried out. Effect of metal ions on the decomposition behavior of HAN has been studied earlier in the context of use of HAN as gun propellant. However the current investigation pertains to the decomposition mechanism of HAN in the context of use of HAN as monopropellant for space propulsion. Decomposition onset temperature, rate of weight loss, heat of reaction were studied using DTA- TGA and total pressure rise and rate of pressure rise during decomposition were evaluated using an in-house built constant volume batch reactor. Besides, reaction mechanism and product profile were studied using TGA-FTIR setup. Iron and copper displayed the maximum reaction. Initial results indicate that iron and copper shows sensitizing effect at concentrations as low as 50 ppm with 60% HAN solution at 80°C. On the other hand 50 ppm zinc does not display any effect on the thermal decomposition of even 90% HAN solution at 80°C.Keywords: hydroxylammonium nitrate, monopropellant, reaction mechanism, thermal stability
Procedia PDF Downloads 42211034 Study the Effect of Sensitization on the Microstructure and Mechanical Properties of Gas Tungsten Arc Welded AISI 304 Stainless Steel Joints
Authors: Viranshu Kumar, Hitesh Arora, Pradeep Joshi
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SS 304 is Austenitic stainless steel with Chromium and Nickel as basic constituents. It has excellent corrosion resistance properties and very good weldability. Austenitic stainless steels have superior mechanical properties at high temperatures and are used extensively in a range of applications. SS 304L has wide applications in various industries viz. Nuclear, Pharmaceutical, marine, chemical etc. due to its excellent applications and ease of joining this material has become very popular for fabrication as well as weld surfacing. Austenitic stainless steels have a tendency to form chromium depleted zones at the grain boundaries during welding and heat treatment, where chromium combines with available carbon in the vicinity of the grain boundaries, to produce an area depleted in chromium, and thus becomes susceptible to intergranular corrosion. This phenomenon is known as sensitization.Keywords: sensitization, SS 304, GTAW, mechanical properties, carbideprecipitationHAZ, microstructure, micro hardness, tensile strength
Procedia PDF Downloads 39811033 Effect of Different Carbon Fabric Orientations on the Fracture Properties of Carbon Fabric Reinforced Polymer Composites
Authors: S. F. Halim, H. F. Naguib, S. N. Lawandy, R. S. Hegazy, M. N. Baheg
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The main drawbacks of the traditional carbon fabric reinforced epoxy resin (CFRP) are low strain failure, delamination between composites layers, and low impact resistance due to the brittleness of epoxy resin. The aim of this study is to enhance the fracture properties of the CFRP composites laminates via the variation of composite's designs. A series of composites were fabricated in which bidirectional (00/900) carbon fabric (CF) layers were laid inside the resin matrix with orientation codes as F1 [(00, 900)/ (00, 900)], F2 [(900, 00)/ (00, 900)] and F3 [(00,900)/ (900, 00). The mechanical and dynamic properties of the composites were estimated. In addition, the morphology of samples surface was examined by scanning electron microscope (SEM) after impact fracture. The results revealed that the CFRP properties could be tailored fitting specific applications by controlling the fabric orientation inside the CFRP composite design. F2 orientation [(900, 00)/ (00.900)] showed the highest tensile and flexural strength values. On the other hand, the impact strength values of composites were in the order F1 > F2 > F3. The storage modulus, loss modulus, and glass transition temperature Tg values obtained from the dynamic mechanical analysis (DMA) examination was in the order F1 > F2 > F3. The variation in the properties of the composite was clearly explained by the SEM micrographs as the failure of F3 orientation properties was referred to as the complete breakage of the CF layers upon fracture.Keywords: carbon fiber, CFRP, composites, epoxy resins, flexural strength
Procedia PDF Downloads 128