Search results for: inverse pseudo moore-penrose
573 Inverse Cauchy Problem of Doubly Connected Domains via Spectral Meshless Radial Point Interpolation
Authors: Elyas Shivanian
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In this paper, the spectral meshless radial point interpolation (SMRPI) technique is applied to the Cauchy problems of two-dimensional elliptic PDEs in doubly connected domains. It is obtained the unknown data on the inner boundary of the domain while overspecified boundary data are imposed on the outer boundary of the domain by using the SMRPI. Shape functions, which are constructed through point interpolation method using the radial basis functions, help us to treat problem locally with the aim of high order convergence rate. In this way, localization in SMRPI can reduce the ill-conditioning for Cauchy problem. Furthermore, we improve previous results and it is revealed the SMRPI is more accurate and stable by adding strong perturbations.Keywords: cauchy problem, doubly connected domain, radial basis function, shape function
Procedia PDF Downloads 278572 Removal of Heavy Metal from Wastewater using Bio-Adsorbent
Authors: Rakesh Namdeti
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The liquid waste-wastewater- is essentially the water supply of the community after it has been used in a variety of applications. In recent years, heavy metal concentrations, besides other pollutants, have increased to reach dangerous levels for the living environment in many regions. Among the heavy metals, Lead has the most damaging effects on human health. It can enter the human body through the uptake of food (65%), water (20%), and air (15%). In this background, certain low-cost and easily available biosorbent was used and reported in this study. The scope of the present study is to remove Lead from its aqueous solution using Olea EuropaeaResin as biosorbent. The results showed that the biosorption capacity of Olea EuropaeaResin biosorbent was more for Lead removal. The Langmuir, Freundlich, Tempkin, and Dubinin-Radushkevich (D-R) models were used to describe the biosorption equilibrium of Lead Olea EuropaeaResin biosorbent, and the biosorption followed the Langmuir isotherm. The kinetic models showed that the pseudo-second-order rate expression was found to represent well the biosorption data for the biosorbent.Keywords: novel biosorbent, central composite design, Lead, isotherms, kinetics
Procedia PDF Downloads 78571 A Combinatorial Representation for the Invariant Measure of Diffusion Processes on Metric Graphs
Authors: Michele Aleandri, Matteo Colangeli, Davide Gabrielli
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We study a generalization to a continuous setting of the classical Markov chain tree theorem. In particular, we consider an irreducible diffusion process on a metric graph. The unique invariant measure has an atomic component on the vertices and an absolutely continuous part on the edges. We show that the corresponding density at x can be represented by a normalized superposition of the weights associated to metric arborescences oriented toward the point x. A metric arborescence is a metric tree oriented towards its root. The weight of each oriented metric arborescence is obtained by the product of the exponential of integrals of the form ∫a/b², where b is the drift and σ² is the diffusion coefficient, along the oriented edges, for a weight for each node determined by the local orientation of the arborescence around the node and for the inverse of the diffusion coefficient at x. The metric arborescences are obtained by cutting the original metric graph along some edges.Keywords: diffusion processes, metric graphs, invariant measure, reversibility
Procedia PDF Downloads 172570 Temporal Estimation of Hydrodynamic Parameter Variability in Constructed Wetlands
Authors: Mohammad Moezzibadi, Isabelle Charpentier, Adrien Wanko, Robert Mosé
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The calibration of hydrodynamic parameters for subsurface constructed wetlands (CWs) is a sensitive process since highly non-linear equations are involved in unsaturated flow modeling. CW systems are engineered systems designed to favour natural treatment processes involving wetland vegetation, soil, and their microbial flora. Their significant efficiency at reducing the ecological impact of urban runoff has been recently proved in the field. Numerical flow modeling in a vertical variably saturated CW is here carried out by implementing the Richards model by means of a mixed hybrid finite element method (MHFEM), particularly well adapted to the simulation of heterogeneous media, and the van Genuchten-Mualem parametrization. For validation purposes, MHFEM results were compared to those of HYDRUS (a software based on a finite element discretization). As van Genuchten-Mualem soil hydrodynamic parameters depend on water content, their estimation is subject to considerable experimental and numerical studies. In particular, the sensitivity analysis performed with respect to the van Genuchten-Mualem parameters reveals a predominant influence of the shape parameters α, n and the saturated conductivity of the filter on the piezometric heads, during saturation and desaturation. Modeling issues arise when the soil reaches oven-dry conditions. A particular attention should also be brought to boundary condition modeling (surface ponding or evaporation) to be able to tackle different sequences of rainfall-runoff events. For proper parameter identification, large field datasets would be needed. As these are usually not available, notably due to the randomness of the storm events, we thus propose a simple, robust and low-cost numerical method for the inverse modeling of the soil hydrodynamic properties. Among the methods, the variational data assimilation technique introduced by Le Dimet and Talagrand is applied. To that end, a variational data assimilation technique is implemented by applying automatic differentiation (AD) to augment computer codes with derivative computations. Note that very little effort is needed to obtain the differentiated code using the on-line Tapenade AD engine. Field data are collected for a three-layered CW located in Strasbourg (Alsace, France) at the water edge of the urban water stream Ostwaldergraben, during several months. Identification experiments are conducted by comparing measured and computed piezometric head by means of the least square objective function. The temporal variability of hydrodynamic parameter is then assessed and analyzed.Keywords: automatic differentiation, constructed wetland, inverse method, mixed hybrid FEM, sensitivity analysis
Procedia PDF Downloads 164569 High-Pressure Calculations of the Elastic Properties of ZnSx Se 1−x Alloy in the Virtual-Crystal Approximation
Authors: N. Lebga, Kh. Bouamama, K. Kassali
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We report first-principles calculation results on the structural and elastic properties of ZnS x Se1−x alloy for which we employed the virtual crystal approximation provided with the ABINIT program. The calculations done using density functional theory within the local density approximation and employing the virtual-crystal approximation, we made a comparative study between the numerical results obtained from ab-initio calculation using ABINIT or Wien2k within the Density Functional Theory framework with either Local Density Approximation or Generalized Gradient approximation and the pseudo-potential plane-wave method with the Hartwigzen Goedecker Hutter scheme potentials. It is found that the lattice parameter, the phase transition pressure, and the elastic constants (and their derivative with respect to the pressure) follow a quadratic law in x. The variation of the elastic constants is also numerically studied and the phase transformations are discussed in relation to the mechanical stability criteria.Keywords: density functional theory, elastic properties, ZnS, ZnSe,
Procedia PDF Downloads 574568 Exposure Analysis of GSM Base Stations in Industrial Area
Authors: A. D. Usman, W. F. Wan Ahmad, H. H. Danjuma
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Exposure due to GSM frequencies is subject of daily debate. Though regulatory bodies provide guidelines for exposure, people still exercise fear on the possible health hazard that may result due to long term usage. In this study, exposure due to electromagnetic field emitted by GSM base stations in industrial areas was investigated. The aimed was to determine whether industrial area exposure is higher as compared to residential as well as compliance with ICNIRP guidelines. Influence of reflection and absorption with respect to inverse square law was also investigated. Measurements from GSM base stations were performed at various distances in far field region. The highest measured peak power densities as well as the calculated values at GSM 1.8 GHz were 6.05 and 90 mW/m2 respectively. This corresponds to 0.07 and 1% of ICNIRP guidelines. The highest peak power densities as well as the calculated values at GSM 0.9 GHz were 11.92 and 49.7 mW/m2 respectively. These values were 0.3 and 1.1% of ICNIRP guidelines.Keywords: Global System for Mobile Communications (GSM), Electromagnetic Field (EMF), far field, power density, Radiofrequency (RF)
Procedia PDF Downloads 482567 Integrated Nested Laplace Approximations For Quantile Regression
Authors: Kajingulu Malandala, Ranganai Edmore
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The asymmetric Laplace distribution (ADL) is commonly used as the likelihood function of the Bayesian quantile regression, and it offers different families of likelihood method for quantile regression. Notwithstanding their popularity and practicality, ADL is not smooth and thus making it difficult to maximize its likelihood. Furthermore, Bayesian inference is time consuming and the selection of likelihood may mislead the inference, as the Bayes theorem does not automatically establish the posterior inference. Furthermore, ADL does not account for greater skewness and Kurtosis. This paper develops a new aspect of quantile regression approach for count data based on inverse of the cumulative density function of the Poisson, binomial and Delaporte distributions using the integrated nested Laplace Approximations. Our result validates the benefit of using the integrated nested Laplace Approximations and support the approach for count data.Keywords: quantile regression, Delaporte distribution, count data, integrated nested Laplace approximation
Procedia PDF Downloads 163566 Dynamic Analysis of Offshore 2-HUS/U Parallel Platform
Authors: Xie Kefeng, Zhang He
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For the stability and control demand of offshore small floating platform, a 2-HUS/U parallel mechanism was presented as offshore platform. Inverse kinematics was obtained by institutional constraint equation, and the dynamic model of offshore 2-HUS/U parallel platform was derived based on rigid body’s Lagrangian method. The equivalent moment of inertia, damping and driving force/torque variation of offshore 2-HUS/U parallel platform were analyzed. A numerical example shows that, for parallel platform of given motion, system’s equivalent inertia changes 1.25 times maximally. During the movement of platform, they change dramatically with the system configuration and have coupling characteristics. The maximum equivalent drive torque is 800 N. At the same time, the curve of platform’s driving force/torque is smooth and has good sine features. The control system needs to be adjusted according to kinetic equation during stability and control and it provides a basis for the optimization of control system.Keywords: 2-HUS/U platform, dynamics, Lagrange, parallel platform
Procedia PDF Downloads 345565 An ab initioStudy of the Structural, Elastic, Electronic, and Optical Properties of the Perovskite ScRhO3
Authors: L. Foudia, K. Haddadi, M. Reffas
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First principles study of structural, elastic, electronic and optical properties of the monoclinic perovskite type ScRhO₃ has been reported using the pseudo-potential plane wave method within the local density approximation. The calculated lattice parameters, including the lattice constants and angle β, are in excellent agreement with the available experimental data, which proving the reliability of the chosen theoretical approach. Pressure dependence up to 20 GPa of the single crystal and polycrystalline elastic constants has been investigated in details using the strain-stress approach. The mechanical stability, ductility, average elastic wave velocity, Debye temperature and elastic anisotropy were also assessed. Electronic band structure and density of states (DOS) demonstrated its semiconducting nature showing a direct band gap of 1.38 eV. Furthermore, several optical properties, such as absorption coefficient, reflectivity, refractive index, dielectric function, optical conductivity and electron energy loss function, have been calculated for radiation up to 40 eV.Keywords: ab-initio, perovskite, DFT, band gap
Procedia PDF Downloads 80564 A Dynamic Equation for Downscaling Surface Air Temperature
Authors: Ch. Surawut, D. Sukawat
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In order to utilize results from global climate models, dynamical and statistical downscaling techniques have been developed. For dynamical downscaling, usually a limited area numerical model is used, with associated high computational cost. This research proposes dynamic equation for specific space-time regional climate downscaling from the Educational Global Climate Model (EdGCM) for Southeast Asia. The equation is for surface air temperature. These equations provide downscaling values of surface air temperature at any specific location and time without running a regional climate model. In the proposed equations, surface air temperature is approximated from ground temperature, sensible heat flux and 2m wind speed. Results from the application of the equation show that the errors from the proposed equations are less than the errors for direct interpolation from EdGCM.Keywords: dynamic equation, downscaling, inverse distance, weight interpolation
Procedia PDF Downloads 306563 Comparison Between PID and PD Controllers for 4 Cable-Based Robots
Authors: Fouad Inel, Lakhdar Khochemane
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This article presents a comparative response specification performance between two controllers of three and four cable based robots for various applications. The main objective of this work is: the first is to use the direct and inverse geometric model to study and simulate the end effector position of the robot with three and four cables. A graphical user interface has been implemented in order to visualizing the position of the robot. Secondly, we present the determination of static and dynamic tensions and lengths of cables required to flow different trajectories. At the end, we study the response of our systems in closed loop with a Proportional-IntegratedDerivative (PID) and Proportional-Integrated (PD) controllers then this last are compared the results of the same examples using MATLAB/Simulink; we found that the PID method gives the better performance, such as rapidly speed response, settling time, compared to PD controller.Keywords: dynamic modeling, geometric modeling, graphical user interface, open loop, parallel cable-based robots, PID/PD controllers
Procedia PDF Downloads 421562 Identification of Impact Load and Partial System Parameters Using 1D-CNN
Authors: Xuewen Yu, Danhui Dan
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The identification of impact load and some hard-to-obtain system parameters is crucial for the activities of analysis, validation, and evaluation in the engineering field. This paper proposes a method that utilizes neural networks based on 1D-CNN to identify the impact load and partial system parameters from measured responses. To this end, forward computations are conducted to provide datasets consisting of the triples (parameter θ, input u, output y). Then neural networks are trained to learn the mapping from input to output, fu|{θ} : y → u, as well as from input and output to parameter, fθ : (u, y) → θ. Afterward, feeding the trained neural networks the measured output response, the input impact load and system parameter can be calculated, respectively. The method is tested on two simulated examples and shows sound accuracy in estimating the impact load (waveform and location) and system parameters.Keywords: convolutional neural network, impact load identification, system parameter identification, inverse problem
Procedia PDF Downloads 123561 Removal of an Acid Dye from Water Using Cloud Point Extraction and Investigation of Surfactant Regeneration by pH Control
Authors: Ghouas Halima, Haddou Boumedienne, Jean Peal Cancelier, Cristophe Gourdon, Ssaka Collines
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This work concerns the coacervate extraction of industrial dye, namely BezanylGreen - F2B, from an aqueous solution by nonionic surfactant “Lutensol AO7 and TX-114” (readily biodegradable). Binary water/surfactant and pseudo-binary (in the presence of solute) phase diagrams were plotted. The extraction results as a function of wt.% of the surfactant and temperature are expressed by the following four quantities: percentage of solute extracted, E%, residual concentrations of solute and surfactant in the dilute phase (Xs,w, and Xt,w, respectively) and volume fraction of coacervate at equilibrium (Фc). For each parameter, whose values are determined by a design of experiments, these results are subjected to empirical smoothing in three dimensions. The aim of this study is to find out the best compromise between E% and Фc. E% increases with surfactant concentration and temperature in optimal conditions, and the extraction extent of TA reaches 98 and 96 % using TX-114 and Lutensol AO7, respectively. The effect of sodium sulfate or cetyltrimethylammonium bromide (CTAB) addition is also studied. Finally, the possibility of recycling the surfactant is proved.Keywords: extraction, cloud point, non ionic surfactant, bezanyl green
Procedia PDF Downloads 126560 Phonological Processing and Its Role in Pseudo-Word Decoding in Children Learning to Read Kannada Language between 5.6 to 8.6 Years
Authors: Vangmayee. V. Subban, Somashekara H. S, Shwetha Prabhu, Jayashree S. Bhat
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Introduction and Need: Phonological processing is critical in learning to read alphabetical and non-alphabetical languages. However, its role in learning to read Kannada an alphasyllabary is equivocal. The literature has focused on the developmental role of phonological awareness on reading. To the best of authors knowledge, the role of phonological memory and phonological naming has not been addressed in alphasyllabary Kannada language. Therefore, there is a need to evaluate the comprehensive role of the phonological processing skills in Kannada on word decoding skills during the early years of schooling. Aim and Objectives: The present study aimed to explore the phonological processing abilities and their role in learning to decode pseudowords in children learning to read the Kannada language during initial years of formal schooling between 5.6 to 8.6 years. Method: In this cross sectional study, 60 typically developing Kannada speaking children, 20 each from Grade I, Grade II, and Grade III between the age range of 5.6 to 6.6 years, 6.7 to 7.6 years and 7.7 to 8.6 years respectively were selected from Kannada medium schools. Phonological processing abilities were assessed using an assessment tool specifically developed to address the objectives of the present research. The assessment tool was content validated by subject experts and had good inter and intra-subject reliability. Phonological awareness was assessed at syllable level using syllable segmentation, blending, and syllable stripping at initial, medial and final position. Phonological memory was assessed using pseudoword repetition task and phonological naming was assessed using rapid automatized naming of objects. Both phonological awareneness and phonological memory measures were scored for the accuracy of the response, whereas Rapid Automatized Naming (RAN) was scored for total naming speed. Results: The mean scores comparison using one-way ANOVA revealed a significant difference (p ≤ 0.05) between the groups on all the measures of phonological awareness, pseudoword repetition, rapid automatized naming, and pseudoword reading. Subsequent post-hoc grade wise comparison using Bonferroni test revealed significant differences (p ≤ 0.05) between each of the grades for all the tasks except (p ≥ 0.05) for syllable blending, syllable stripping, and pseudoword repetition between Grade II and Grade III. The Pearson correlations revealed a highly significant positive correlation (p=0.000) between all the variables except phonological naming which had significant negative correlations. However, the correlation co-efficient was higher for phonological awareness measures compared to others. Hence, phonological awareness was chosen a first independent variable to enter in the hierarchical regression equation followed by rapid automatized naming and finally, pseudoword repetition. The regression analysis revealed syllable awareness as a single most significant predictor of pseudoword reading by explaining the unique variance of 74% and there was no significant change in R² when RAN and pseudoword repetition were added subsequently to the regression equation. Conclusion: Present study concluded that syllable awareness matures completely by Grade II, whereas the phonological memory and phonological naming continue to develop beyond Grade III. Amongst phonological processing skills, phonological awareness, especially syllable awareness is crucial for word decoding than phonological memory and naming during initial years of schooling.Keywords: phonological awareness, phonological memory, phonological naming, phonological processing, pseudo-word decoding
Procedia PDF Downloads 175559 Unique NiO Based 1 D Core/Shell Nano-Heterostructure Electrodes for High-Performance Supercapacitor
Authors: Gobinda Gopal Khan, Ashutosh K. Singh, Debasish Sarkar
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Unique one-dimensional (1D) Ni-NiO and Co-Ni/Co3O4-NiO core/shell nano-heterostructures are fabricated by combining the electrochemical deposition and annealing. The high-performance pseudo-capacitor electrode based on the Ni-NiO and Co-Ni/Co3O4-NiO core/shell nano-heterostructures is designed and demonstrated. The Co-Ni/Co3O4-NiO core/shell nano-heterostructures exhibit high specific capacitance (2013 Fg-1 at 2.5 Ag-1), high energy and power density (23 Wh kg-1 and 5.5 kW kg-1, at the discharge current density of 20.8 A g-1.), good capacitance retention, and long cyclicality. The remarkable electrochemical property of the large surface area nano-heterostructures is demonstrated based on the novel nano-architectural design of the electrode with the coexistence of the two highly redox active materials at the surface supported by highly conducting metal alloy channel at the core for faster charge transport.Keywords: nano-heterostructures, energy storage, supercapacitors, electrochemical deposition
Procedia PDF Downloads 326558 Removal of Maxilon Red Dye by Adsorption and Photocatalysis: Optimum Conditions, Equilibrium, and Kinetic Studies
Authors: Aid Asma, Dahdouh Nadjib, Amokrane Samira, Ladjali Samir, Nibou Djamel
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The present work has for main objective the elimination of the textile dye Maxilon Red (MR) by two processes, adsorption on activated clay followed by photocatalysis in presence of ZnO as a photocatalyst. The influence of the physical parameters like the initial pH, adsorbent dose of the activated clay, the MR concentration and temperature has been studied. The best adsorption yield occurs at neutral pH ~ 7 within 60 min with an uptake percentage of 97% for a concentration of 25 mg L⁻¹ and a dose of 0.5 g L⁻¹. The adsorption data were suitably fitted by the Langmuir model with a maximum capacity of 176 mg g⁻¹. The MR adsorption is well described by the pseudo second order kinetic. The second part of this work was dedicated to the photocatalytic degradation onto ZnO under solar irradiation of the residual MR concentration, remained after adsorption. The effect of ZnO dose and MR concentration has also been investigated. The parametric study showed that the elimination is very effective by this process, based essentially on the in situ generation of free radicals *OH which are non-selective and very reactive. The photodegradation process follows a first order kinetic model according to the Langmuir-Hinshelwood model.Keywords: maxilon red, adsorption, photodegradation, ZnO, coupling
Procedia PDF Downloads 186557 Recovery of Fried Soybean Oil Using Bentonite as an Adsorbent: Optimization, Isotherm and Kinetics Studies
Authors: Prakash Kumar Nayak, Avinash Kumar, Uma Dash, Kalpana Rayaguru
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Soybean oil is one of the most widely consumed cooking oils, worldwide. Deep-fat frying of foods at higher temperatures adds unique flavour, golden brown colour and crispy texture to foods. But it brings in various changes like hydrolysis, oxidation, hydrogenation and thermal alteration to oil. The presence of Peroxide value (PV) is one of the most important factors affecting the quality of the deep-fat fried oil. Using bentonite as an adsorbent, the PV can be reduced, thereby improving the quality of the soybean oil. In this study, operating parameters like heating time of oil (10, 15, 20, 25 & 30 h), contact time ( 5, 10, 15, 20, 25 h) and concentration of adsorbent (0.25, 0.5, 0.75, 1.0 and 1.25 g/ 100 ml of oil) have been optimized by response surface methodology (RSM) considering percentage reduction of PV as a response. Adsorption data were analysed by fitting with Langmuir and Freundlich isotherm model. The results show that the Langmuir model shows the best fit compared to the Freundlich model. The adsorption process was also found to follow a pseudo-second-order kinetic model.Keywords: bentonite, Langmuir isotherm, peroxide value, RSM, soybean oil
Procedia PDF Downloads 375556 A Quantitative Evaluation of Text Feature Selection Methods
Authors: B. S. Harish, M. B. Revanasiddappa
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Due to rapid growth of text documents in digital form, automated text classification has become an important research in the last two decades. The major challenge of text document representations are high dimension, sparsity, volume and semantics. Since the terms are only features that can be found in documents, selection of good terms (features) plays an very important role. In text classification, feature selection is a strategy that can be used to improve classification effectiveness, computational efficiency and accuracy. In this paper, we present a quantitative analysis of most widely used feature selection (FS) methods, viz. Term Frequency-Inverse Document Frequency (tfidf ), Mutual Information (MI), Information Gain (IG), CHISquare (x2), Term Frequency-Relevance Frequency (tfrf ), Term Strength (TS), Ambiguity Measure (AM) and Symbolic Feature Selection (SFS) to classify text documents. We evaluated all the feature selection methods on standard datasets like 20 Newsgroups, 4 University dataset and Reuters-21578.Keywords: classifiers, feature selection, text classification
Procedia PDF Downloads 458555 Synthesis and Characterization of Thiourea-Formaldehyde Coated Fe3O4 (TUF@Fe3O4) and Its Application for Adsorption of Methylene Blue
Authors: Saad M. Alshehri, Tansir Ahamad
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Thiourea-Formaldehyde Pre-Polymer (TUF) was prepared by the reaction thiourea and formaldehyde in basic medium and used as a coating materials for magnetite Fe3O4. The synthesized polymer coated microspheres (TUF@Fe3O4) was characterized using FTIR, TGA SEM and TEM. Its BET surface area was up to 1680 m2 g_1. The adsorption capacity of this ACF product was evaluated in its adsorption of Methylene Blue (MB) in water under different pH values and different temperature. We found that the adsorption process was well described both by the Langmuir and Freundlich isotherm model. The kinetic processes of MB adsorption onto TUF@Fe3O4 were described in order to provide a more clear interpretation of the adsorption rate and uptake mechanism. The overall kinetic data was acceptably explained by a pseudo second-order rate model. Evaluated ∆Go and ∆Ho specify the spontaneous and exothermic nature of the reaction. The adsorption takes place with a decrease in entropy (∆So is negative). The monolayer capacity for MB was up to 450 mg g_1 and was one of the highest among similar polymeric products. It was due to its large BET surface area.Keywords: TGA, FTIR, magentite, thiourea formaldehyde resin, methylene blue, adsorption
Procedia PDF Downloads 350554 Pattern of Stress Distribution in Different Ligature-Wire-Brackets Systems: A FE and Experimental Analysis
Authors: Afef Dridi, Salah Mezlini
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Since experimental devices cannot calculate stress and deformation of complex structures. The Finite Element Method FEM has been widely used in several fields of research. One of these fields is orthodontics. The advantage of using such a method is the use of an accurate and non invasive method that allows us to have a sufficient data about the physiological reactions can happening in soft tissues. Most of researches done in this field were interested in the study of stresses and deformations induced by orthodontic apparatus in soft tissues (alveolar tissues). Only few studies were interested in the distribution of stress and strain in the orthodontic brackets. These studies, although they tried to be as close as possible to real conditions, their models did not reproduce the clinical cases. For this reason, the model generated by our research is the closest one to reality. In this study, a numerical model was developed to explore the stress and strain distribution under the application of real conditions. A comparison between different material properties was also done.Keywords: visco-hyperelasticity, FEM, orthodontic treatment, inverse method
Procedia PDF Downloads 259553 Utilizing Quantum Chemistry for Nanotechnology: Electron and Spin Movement in Molecular Devices
Authors: Mahsa Fathollahzadeh
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The quick advancement of nanotechnology necessitates the creation of innovative theoretical approaches to elucidate complex experimental findings and forecast novel capabilities of nanodevices. Therefore, over the past ten years, a difficult task in quantum chemistry has been comprehending electron and spin transport in molecular devices. This thorough evaluation presents a comprehensive overview of current research and its status in the field of molecular electronics, emphasizing the theoretical applications to various device types and including a brief introduction to theoretical methods and their practical implementation plan. The subject matter includes a variety of molecular mechanisms like molecular cables, diodes, transistors, electrical and visual switches, nano detectors, magnetic valve gadgets, inverse electrical resistance gadgets, and electron tunneling exploration. The text discusses both the constraints of the method presented and the potential strategies to address them, with a total of 183 references.Keywords: chemistry, nanotechnology, quantum, molecule, spin
Procedia PDF Downloads 48552 Theoretical Investigation of the Structural, Electronic, Optical and Elastic Properties of the Perovskite ScRhO₃
Authors: L. Foudia, K. Haddadi, M. Reffas
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First principles study of structural, elastic, electronic and optical properties of the monoclinic perovskite type ScRhO₃ has been reported using the pseudo-potential plane wave method within the local density approximation. The calculated lattice parameters, including the lattice constants and angle β are in excellent agreement with the available experimental data, which proving the reliability of the chosen theoretical approach. Pressure dependence up to 20 GPa of the single crystal and polycrystalline elastic constants has been investigated in details using the strain-stress approach. The mechanical stability, ductility, average elastic wave velocity, Debye temperature and elastic anisotropy were also assessed. Electronic band structure and density of states (DOS) demonstrated its semiconducting nature showing a direct band gap of 1.38 eV. Furthermore, several optical properties, such as absorption coefficient, reflectivity, refractive index, dielectric function, optical conductivity and electron energy loss function have been calculated for radiation up to 40 eV.Keywords: ab-initio, perovskite, DFT, band gap.
Procedia PDF Downloads 74551 Biodiesel Synthesis Using Animal Excreta-Based Biochar and Waste Cooking Oil
Authors: Sang-Ryong Lee, Min-Woon Jung, Deugwoo Han, Kiyong Kim
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This study laid an emphasis on the possible employment of biochar generated from pyrolysis of animal excreta to establish a green platform for producing biodiesel. To this end, the pseudo-catalytic transesterification reaction using chicken manure biochar and waste cooking oil was investigated. Compared with a commercial porous material (SiO2), chicken manure biochar generated from 350 C showed better performance, resulting in 95.6% of the FAME yield at 350C. The Ca species in chicken manure biochar imparted strong catalytic capability by providing the basicity for transesterification. The identified catalytic effect also led to the thermal cracking of unsaturated FAMEs, which decreased the overall FAME yield. For example, 40–60% of converted FAMEs were thermally degraded. To avoid undesirable thermal cracking arising from the high content of the Ca species in chicken manure biochar, the fabrication of chicken manure biochar at temperatures ≥350C was highly recommended.Keywords: Trasesterification, Animal excreta, FAME, Biochar, Chicken manure
Procedia PDF Downloads 199550 Performance Analysis of Multichannel OCDMA-FSO Network under Different Pervasive Conditions
Authors: Saru Arora, Anurag Sharma, Harsukhpreet Singh
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To meet the growing need of high data rate and bandwidth, various efforts has been made nowadays for the efficient communication systems. Optical Code Division Multiple Access over Free space optics communication system seems an effective role for providing transmission at high data rate with low bit error rate and low amount of multiple access interference. This paper demonstrates the OCDMA over FSO communication system up to the range of 7000 m at a data rate of 5 Gbps. Initially, the 8 user OCDMA-FSO system is simulated and pseudo orthogonal codes are used for encoding. Also, the simulative analysis of various performance parameters like power and core effective area that are having an effect on the Bit error rate (BER) of the system is carried out. The simulative analysis reveals that the length of the transmission is limited by the multi-access interference (MAI) effect which arises when the number of users increases in the system.Keywords: FSO, PSO, bit error rate (BER), opti system simulation, multiple access interference (MAI), q-factor
Procedia PDF Downloads 365549 Text Based Shuffling Algorithm on Graphics Processing Unit for Digital Watermarking
Authors: Zayar Phyo, Ei Chaw Htoon
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In a New-LSB based Steganography method, the Fisher-Yates algorithm is used to permute an existing array randomly. However, that algorithm performance became slower and occurred memory overflow problem while processing the large dimension of images. Therefore, the Text-Based Shuffling algorithm aimed to select only necessary pixels as hiding characters at the specific position of an image according to the length of the input text. In this paper, the enhanced text-based shuffling algorithm is presented with the powered of GPU to improve more excellent performance. The proposed algorithm employs the OpenCL Aparapi framework, along with XORShift Kernel including the Pseudo-Random Number Generator (PRNG) Kernel. PRNG is applied to produce random numbers inside the kernel of OpenCL. The experiment of the proposed algorithm is carried out by practicing GPU that it can perform faster-processing speed and better efficiency without getting the disruption of unnecessary operating system tasks.Keywords: LSB based steganography, Fisher-Yates algorithm, text-based shuffling algorithm, OpenCL, XORShiftKernel
Procedia PDF Downloads 150548 Identification of Force Vector on an Elastic Solid Using an Embeded PVDF Senor Array
Authors: Andrew Youssef, David Matthews, Jie Pan
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Identifying the magnitude and direction of a force on an elastic solid is highly desirable, as this allows for investigation and continual monitoring of the dynamic loading. This was traditionally conducted by connecting the solid to the supporting structure by multi-axial force transducer, providing that the transducer will not change the mounting conditions. Polyvinylidene fluoride (PVDF) film is a versatile force transducer that can be easily embedded in structures. Here a PVDF sensor array is embedded inside a simple structure in an effort to determine the force vector applied to the structure is an inverse problem. In this paper, forces of different magnitudes and directions where applied to the structure with an impact hammer, and the output of the PVDF was captured and processed to gain an estimate of the forces applied by the hammer. The outcome extends the scope of application of PVDF sensors for measuring the external or contact force vectors.Keywords: embedded sensor, monitoring, PVDF, vibration
Procedia PDF Downloads 338547 Synthesis and Characterization of Nano-Alumina Using Neem Oil as the Template for Efficient Hydrogen Generation via Photo-Hydrolysis of Sodium Borohydride
Authors: Dina M. Abd El-Aty, D. Aman, E. G. Zaki, Heba M. Salem
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A friendly environmental source of energy as hydrogen was produced by photo-hydrolysis of hydrogen storage material as sodium borohydride (NaBH4), which is non-toxic and stores a high percentage of hydrogen. The photoreaction was produced under visible light and nano-alumina as a catalyst. In this study, we use more economical and friendly environmental oil as a template to produce a nano-catalyst. The prepared catalyst was characterized by X-Ray diffraction, N2-adsorption-desorption, Fourier Transforms Infrared, Scanning Electron microscope and X-Ray Photoelectron Spectroscopy. Different parameters such as catalyst weight, NaBH4 weight and time of irradiation were studied to obtain a highly efficient photo-hydrolysis reaction. The reaction is pseudo-first order and the hydrogen production rate was determined as 1500 ml min-1 g-1 at the optimum conditions.Keywords: photo-reaction, nano-alumina, hydrogen production, sodium borohydride, visible light
Procedia PDF Downloads 83546 Analytical Response Characterization of High Mobility Transistor Channels
Authors: F. Z. Mahi, H. Marinchio, C. Palermo, L. Varani
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We propose an analytical approach for the admittance response calculation of the high mobility InGaAs channel transistors. The development of the small-signal admittance takes into account the longitudinal and transverse electric fields through a pseudo two-dimensional approximation of the Poisson equation. The total currents and the potentials matrix relation between the gate and the drain terminals determine the frequency-dependent small-signal admittance response. The analytical results show that the admittance spectrum exhibits a series of resonant peaks corresponding to the excitation of plasma waves. The appearance of the resonance is discussed and analyzed as functions of the channel length and the temperature. The model can be used, on one hand, to control the appearance of plasma resonances, and on the other hand, can give significant information about the admittance phase frequency dependence.Keywords: small-signal admittance, Poisson equation, currents and potentials matrix, the drain and the gate terminals, analytical model
Procedia PDF Downloads 540545 Modeling of Single Bay Precast Residential House Using Ruaumoko 2D Program
Authors: N. H. Hamid, N. M. Mohamed, S. A. Anuar
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Precast residential houses are normally constructed in Malaysia using precast shear-key wall panel and precast wall panel are designed using BS8110 where there is no provision for earthquake. However, the safety of this house under moderate and strong earthquake is still questionable. Consequently, the full-scale of residential house are designed, constructed, tested and analyzed under in-plane lateral cyclic loading. Hysteresis loops are plotted based on the experimental work and compared with modeling of hysteresis loops using HYSTERES in RUAUMOKO 2D program. Modified Takeda hysteresis model is chosen to behave a similar pattern with experimental work. This program will display the earthquake excitations, spectral displacements, pseudo spectral acceleration, and deformation shape of the structure. It can be concluded that this building is suffering severe cracks and damage under moderate and severe earthquake.Keywords: precast shear-key, hysteresis loops, spectral displacements, deformation shape
Procedia PDF Downloads 456544 Influence of Cationic Surfactant (TTAB) on the Rate of Dipeptide (Gly-DL-Asp) Ninhydrin Reaction in Absence and Presence of Organic Solvents
Authors: Mohd. Akram, A. A. M. Saeed
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Surfactants are widely used in our daily life either directly in household and personal care products or indirectly in the industrial processes. The kinetics of the interaction of glycyl-DL-aspartic acid (Gly-DL-Asp) with ninhydrin has been investigated spectrophotometrically in aqueous and organic-solvent media in the absence and presence of cationic surfactant of tetradecyltrimethylammonium bromide (TTAB). The study was carried out under different experimental conditions. The first and fractional order-rate were observed for [Gly-DL-Asp] and [ninhydrin], respectively. The reaction was enhanced about four-fold by TTAB micelles. The effect of organic solvents was studied at a constant concentration of TTAB and showed an increase in the absorbance as well as the rate constant for the formation of product (Ruhemann's purple). The results obtained in micellar media are treated quantitatively in terms of pseudo-phase and Piszkiewicz cooperativity models. The Arrhenius and Eyring equations are valid for the reaction over the range of temperatures used and different activation parameters (Ea, ∆H#, ∆S#, and ∆G#) have been evaluated.Keywords: glycyl-DL-aspartic acid, ninhydrin, organic solvents, TTAB
Procedia PDF Downloads 384