Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 16

Search results for: A. Hamzaoui

16 Maximum Power Point Tracking Using FLC Tuned with GA

Authors: Mohamed Amine Haraoubia, Abdelaziz Hamzaoui, Najib Essounbouli

Abstract:

The pursuit of the MPPT has led to the development of many kinds of controllers, one of which is the Fuzzy Logic Controller, which has proven its worth. To further tune this controller this paper will discuss and analyze the use of Genetic Algorithms to tune the Fuzzy Logic Controller. It will provide an introduction to both systems, and test their compatibility and performance.

Keywords: fuzzy logic controller, fuzzy logic, genetic algorithm, maximum power point, maximum power point tracking

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15 Preparation of Amorphous silica from Algerian Diatomite and Its Properties

Authors: S. Medeghri, S. Hamzaoui, M. Zerdali, S. Masatomo

Abstract:

In this work there is a facile method to produce pure amorphous silica from Algerian diatomite with an economic and ecological method. The sodium silicate is commonly used as precursor in silica gel diatomite preparation. In this study, the preparation of sodium silicate is preceded by acid washing of raw diatomite; the acid is then slowly added to precipitate silica at different pH values to obtain silica gel. The silica gel is characterized by EDX, ICP-MS and XRD. The EDX revels that the purity of silica from diatom is 98% after purification compared to raw diatom.

Keywords: diatomite, acid cleaning, dissolution, amorphous silica, purity

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14 Easy Method of Synthesis and Functionalzation of Zno Nanoparticules With 3 Aminopropylthrimethoxysilane (APTES)

Authors: Haythem Barrak, Gaetan Laroche, Adel M’nif, Ahmed Hichem Hamzaoui

Abstract:

The use of semiconductor oxides, as chemical or biological, requires their functionalization with appropriate dependent molecules of the substance to be detected. generally, the support materials used are TiO2 and SiO2. In the present work, we used zinc oxide (ZnO) known for its interesting physical properties. The synthesis of nano scale ZnO was performed by co-precipitation at low temperature (60 ° C).To our knowledge, the obtaining of this material at this temperature was carried out for the first time. This shows the low cost of this operation. On the other hand, the surface functionalization of ZnO was performed with (3-aminopropyl) triethoxysilane (APTES) by using a specific method using ethanol for the first time. In addition, the duration of this stage is very low compared to literature. The samples obtained were analyzed by XRD, TEM, DLS, FTIR, and TGA shows that XPS that the operation of grafting of APTES on our support was carried out with success.

Keywords: functionalization, nanoparticle, ZnO, APTES, caractérisation

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13 Fast Terminal Synergetic Converter Control

Authors: Z. Bouchama, N. Essounbouli, A. Hamzaoui, M. N. Harmas

Abstract:

A new robust finite time synergetic controller is presented based on recently developed synergetic control methodology and a terminal attractor technique. A Fast Terminal Synergetic Control (FTSC) is proposed for controlling DC-DC buck converter. Unlike Synergetic Control (SC) and sliding mode control, the proposed control scheme has the characteristics of finite time convergence and chattering free phenomena. Simulation of stabilization and reference tracking for buck converter systems illustrates the approach effectiveness while stability is assured in the Lyapunov sense and converse Lyapunov results involving scalar differential inequalities are given for finite-time stability.

Keywords: dc-dc buck converter, synergetic control, finite time convergence, terminal synergetic control, fast terminal synergetic control, Lyapunov

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12 X-Ray and DFT Electrostatics Parameters Determination of a Coumarin Derivative Compound C17H13NO3

Authors: Y. Megrous, A. Chouaih, F. Hamzaoui

Abstract:

The crystal structure of 4-Methyl-7-(salicylideneamino)coumarin C17H13NO3has been determined using X-ray diffraction to establish the configuration and stereochemistry of the molecule. This crystal is characterized by its nolinear activity. The molecular electron charge density distribution of the title compound is described accurately using the multipolar model of Hansen and Coppens. The net atomic charge and the molecular dipole moment in-crystal have been determined in order to understand the nature of inter-and intramolecular charge transfer. The study present the thermal motion and the structural analysis obtained from the least-square refinement on F2,this study has also allowed us to determine the electrostatic potential and therefore locate the electropositive part and the electronegative part in molecular scale of the title compound.

Keywords: electron charge density, net atomic charge, molecular dipole moment, X-ray diffraction

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11 New Approach to Construct Phylogenetic Tree

Authors: Ouafae Baida, Najma Hamzaoui, Maha Akbib, Abdelfettah Sedqui, Abdelouahid Lyhyaoui

Abstract:

Numerous scientific works present various methods to analyze the data for several domains, specially the comparison of classifications. In our recent work, we presented a new approach to help the user choose the best classification method from the results obtained by every method, by basing itself on the distances between the trees of classification. The result of our approach was in the form of a dendrogram contains methods as a succession of connections. This approach is much needed in phylogeny analysis. This discipline is intended to analyze the sequences of biological macro molecules for information on the evolutionary history of living beings, including their relationship. The product of phylogeny analysis is a phylogenetic tree. In this paper, we recommend the use of a new method of construction the phylogenetic tree based on comparison of different classifications obtained by different molecular genes.

Keywords: hierarchical classification, classification methods, structure of tree, genes, phylogenetic analysis

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10 Theoretical and Experimental Electrostatic Potential around the M-Nitrophenol Compound

Authors: Drissi Mokhtaria, Chouaih Abdelkader, Fodil Hamzaoui

Abstract:

Our work is about a comparison of experimental and theoretical results of the electron charge density distribution and the electrostatic potential around the M-Nitrophenol Molecule (m-NPH) kwon for its interesting physical characteristics. The molecular experimental results have been obtained from a high-resolution X-ray diffraction study. Theoretical investigations were performed under the Gaussian program using the Density Functional Theory at B3LYP level of theory at 6-31G*. The multipolar model of Hansen and Coppens was used for the experimental electron charge density distribution around the molecule, while we used the DFT methods for the theoretical calculations. The electron charge density obtained in both methods allowed us to find out the different molecular properties such us the electrostatic potential and the dipole moment which were finally subject to a comparison leading to an outcome of a good matching results obtained in both methods.

Keywords: electron charge density, m-nitrophenol, nonlinear optical compound, electrostatic potential, optimized geometric

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9 The Manufacturing of Metallurgical Grade Silicon from Diatomaceous Silica by an Induction Furnace

Authors: Shahrazed Medeghri, Saad Hamzaoui, Mokhtar Zerdali

Abstract:

The metallurgical grade silicon (MG-Si) is obtained from the reduction of silica (SiO2) in an induction furnace or an electric arc furnace. Impurities inherent in reduction process also depend on the quality of the raw material used. Among the applications of the silicon, it is used as a substrate for the photovoltaic conversion of solar energy and this conversion is wider as the purity of the substrate is important. Research is being done where the purpose is looking for new methods of manufacturing and purification of silicon, as well as new materials that can be used as substrates for the photovoltaic conversion of light energy. In this research, the technique of production of silicon in an induction furnace, using a high vacuum for fusion. Diatomaceous Silica (SiO2) used is 99 mass% initial purities, the carbon used is 6N of purity and the particle size of 63μm as starting materials. The final achieved purity of the material was above 50% by mass. These results demonstrate that this method is a technically reliable, and allows obtaining a better return on the amount 50% of silicon.

Keywords: induction furnaces, amorphous silica, carbon microstructure, silicon

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8 Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability, Hyperpolarizability, and HOMO–LUMO Analysis of Monomeric and Dimeric Structures of N-(2-Methylphenyl)-2-Nitrobenzenesulfonamide

Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method show good agreement with xperimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. the intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide

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7 The Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability Hyperpolarizability, and Homo–Lumo Analysis of Monomeric and Dimeric Structures of 2-Chloro-N-(2 Methylphenyl) Benzamide

Authors: N. Khelloul, N. Benhalima, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method shows good agreement with experimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that 2-Chloro-N-(2-methylphenyl) benzamide 2 molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, HOMO, LUMO, NLO

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6 The Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability, Hyperpolarizability, and HOMO–LUMO Analysis of Monomeric and Dimeric Structures of N-(2-Methylphenyl)-2-Nitrobenzenesulfonamide

Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G(d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G(d,p) method show good agreement with experimental X-ray data. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide, polarizability

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5 Electron Density Analysis and Nonlinear Optical Properties of Zwitterionic Compound

Authors: A. Chouaih, N. Benhalima, N. Boukabcha, R. Rahmani, F. Hamzaoui

Abstract:

Zwitterionic compounds have received the interest of chemists and physicists due to their applications as nonlinear optical materials. Recently, zwitterionic compounds exhibiting high nonlinear optical activity have been investigated. In this context, the molecular electron charge density distribution of the title compound is described accurately using the multipolar model of Hansen and Coppens. The net atomic charge and the molecular dipole moment have been determined in order to understand the nature of inter- and intramolecular charge transfer. The study reveals the nature of intermolecular interactions including charge transfer and hydrogen bonds in the title compound. In this crystal, the molecules form dimers via intermolecular hydrogen bonds. The dimers are further linked by C–H...O hydrogen bonds into chains along the c crystallographic axis. This study has also allowed us to determine various nonlinear optical properties such as molecular electrostatic potential, polarizability, and hyperpolarizability of the title compound.

Keywords: organic compounds, polarizability, hyperpolarizability, dipole moment

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4 Molecular Electrostatic Potential in Z-3N(2-Ethoxyphenyl), 2-N'(2-Ethoxyphenyl) Imino Thiazolidin-4-one Molecule by Ab Initio and DFT Methods

Authors: Manel Boulakoud, Abdelkader Chouaih, Fodil Hamzaoui

Abstract:

In the present work we are interested in the determination of the Molecular electrostatic potential (MEP) in Z-3N(2-Ethoxyphenyl), 2-N’(2-Ethoxyphenyl) imino thiazolidin-4-one molecule by ab initio and Density Functional Theory (DFT) in the ground state. The MEP is related to the electronic density and is a very useful descriptor in understanding sites for electrophilic attack and nucleophilic reactions as well as hydrogen bonding interactions. First, geometry optimization was carried out using Hartree–Fock (HF) and DFT methods with 6-311G(d,p) basis set. In order to get more information on the molecule, its stability has been analyzed by natural bond orbital (NBO) analysis. Mulliken population analyses have been calculated. Finally, the molecular electrostatic potential (MEP) and HOMO-LUMO energy levels have been performed. The calculated HOMO and LUMO energies show also the charge transfer within the molecule. The energy gap obtained is about 4 eV which explain the stability of the studied compound. The obtained molecular electrostatic potential from the two methods confirms the nature of the electron charge transfer at the molecular shell and locate the electropositive part and the electronegative part in molecular scale of the title compound.

Keywords: DFT, ab initio, HOMO-LUMO, organic compounds

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3 Theoretical and Experimental Electrostatic Parameters Determination of 4-Methyl-N-[(5- Nitrothiophen-2-Ylmethylidene)] Aniline Compound

Authors: N. Boukabcha, Y. Megrouss, N. Benhalima, S. Yahiaoui, A. Chouaih, F. Hamzaoui

Abstract:

We present the electron density analysis of organic compound 4-methyl-N-[(5- nitrothiophen-2-ylmethylidene)] aniline with chemical formula C12H10N2O2S. Indeed, determining the electrostatic properties of nonlinear optical organic compounds requires knowledge of the distribution of the electron density with high precision. On the other hand, a structural analysis is performed. Two methods are used to obtain the structure, X-ray diffraction and theoretical calculation with density functional theory (DFT). The electron density study is performed using the Mopro program1503 based on the multipolar model of Hansen and Coppens. Electron density analysis allows determination of the value and orientation of the dipole moment. The net atomic charges, electrostatic potential and the molecular dipole moment have been determined in order to understand the nature of inter- and intramolecular charge transfer. The study reveals the nature of intermolecular interactions including charge transfer and hydrogen bonds in the title compound. Crystallographic data: monoclinic system - space group P21 / n. Celle parameters: a = 4.7606 (4) Å, b = 22.415 (2) Å, c = 10.7008 (15) Å, β = 92.566 (13) 0, V = 1140.7 (2) Å3, Z = 4, R = 0.0034 for 2693 observed reflections.

Keywords: electron density, dipole moment, electrostatic potential, DFT, Mopro

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2 Geopolymerization Methods for Clay Soils Treatment

Authors: Baba Hassane Ahmed Hisseini, Abdelkrim Bennabi, Rabah Hamzaoui, Lamis Makki, Gaetan Blanck

Abstract:

Most of the clay soils are known as problematic soils due to their water content, which varies greatly over time. It is observed that they are used to be subject to shrinkage and swelling, thus causing a problem of stability on the structures of civil engineering construction work. They are often excavated and placed in a storage area giving rise to the opening of new quarries. This method has become obsolete today because to protect the environment, we are leading to think differently and opening the way to new research for the improvement of the performance of this type of clay soils to reuse them in the construction field. The solidification and stabilization technique is used to improve the properties of poor quality soils to transform them into materials with a suitable performance for a new use in the civil engineering field rather than to excavate them and store them in the discharge area. In our case, the polymerization method is used for bad clay soils classified as high plasticity soil class A4 according to the French standard NF P11-300, where classical treatment methods with cement or lime are not efficient. Our work concerns clay soil treatment study using raw materials as additives for solidification and stabilization. The geopolymers are synthesized by aluminosilicates materials like fly ash, metakaolin, or blast furnace slag and activated by alkaline solution based on sodium hydroxide (NaOH), sodium silicate (Na2SiO3) or a mixture of both of them. In this study, we present the mechanical properties of the soil clay (A4 type) evolution with geopolymerisation methods treatment. Various mix design of aluminosilicates materials and alkaline solutions were carried at different percentages and different curing times of 1, 7, and 28 days. The compressive strength of the untreated clayey soil could be increased from simple to triple. It is observed that the improvement of compressive strength is associated with a geopolymerization mechanism. The highest compressive strength was found with metakaolin at 28 days.

Keywords: treatment and valorization of clay-soil, solidification and stabilization, alkali-activation of co-product, geopolymerization

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1 Hybrid Materials Obtained via Sol-Gel Way, by the Action of Teraethylorthosilicate with 1, 3, 4-Thiadiazole 2,5-Bifunctional Compounds

Authors: Afifa Hafidh, Fathi Touati, Ahmed Hichem Hamzaoui, Sayda Somrani

Abstract:

The objective of the present study has been to synthesize and to characterize silica hybrid materials using sol-gel technic and to investigate their properties. Silica materials were successfully fabricated using various bi-functional 1,3,4-thiadiazoles and tetraethoxysilane (TEOS) as co-precursors via a facile one-pot sol-gel pathway. TEOS was introduced at room temperature with 1,3,4-thiadiazole 2,5-difunctiunal adducts, in ethanol as solvent and using HCl acid as catalyst. The sol-gel process lead to the formation of monolithic, coloured and transparent gels. TEOS was used as a principal network forming agent. The incorporation of 1,3,4-thiadiazole molecules was realized by attachment of these later onto a silica matrix. This allowed covalent linkage between organic and inorganic phases and lead to the formation of Si-N and Si-S bonds. The prepared hybrid materials were characterized by Fourier transform infrared, NMR ²⁹Si and ¹³C, scanning electron microscopy and nitrogen absorption-desorption measurements. The optic and magnetic properties of hybrids are studied respectively by ultra violet-visible spectroscopy and electron paramagnetic resonance. It was shown in this work, that heterocyclic moieties were successfully attached in the hybrid skeleton. The formation of the Si-network composed of cyclic units (Q3 structures) connected by oxygen bridges (Q4 structures) was proved by ²⁹Si NMR spectroscopy. The Brunauer-Elmet-Teller nitrogen adsorption-desorption method shows that all the prepared xerogels have isotherms type IV and are mesoporous solids. The specific surface area and pore volume of these materials are important. The obtained results show that all materials are paramagnetic semiconductors. The data obtained by Nuclear magnetic resonance ²⁹Si and Fourier transform infrared spectroscopy, show that Si-OH and Si-NH groups existing in silica hybrids can participate in adsorption interactions. The obtained materials containing reactive centers could exhibit adsorption properties of metal ions due to the presence of OH and NH functionality in the mesoporous frame work. Our design of a simple method to prepare hybrid materials may give interest of the development of mesoporous hybrid systems and their use within the domain of environment in the future.

Keywords: hybrid materials, sol-gel process, 1, 3, 4-thiadaizole, TEOS

Procedia PDF Downloads 108