Search results for: Marref Salah Eddine

Authors: Rekab Djabri Hamza, Daoud Salah

Abstract:

We report first-principles calculations of structural and magnetic properties of TmAs compound in zinc blende(B3) and CsCl(B2), structures employing the density functional theory (DFT) within the local density approximation (LDA). We use the full potential linear muffin-tin orbitals (FP-LMTO) as implemented in the LMTART-MINDLAB code (Calculation). Results are given for lattice parameters (a), bulk modulus (B), and its first derivatives(B’) in the different structures NaCl (B1) and CsCl (B2). The most important result in this work is the prediction of the possibility of transition; from cubic rocksalt (NaCl)→ CsCl (B2) (32.96GPa) for TmAs. These results use the LDA approximation.

Keywords: LDA, phase transition, properties, DFT

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Authors: Rafika Bibi, Khaled Khaladi, Hind Mokran, Mohamed Salah Boukhechem

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A high performance liquid chromatographic method with ultraviolet detection at 264nm was developed and validate for quantitative determination and separation of cefazolin and cefotaxime in urine, the mobile phase consisted of acetonitrile and phosphate buffer pH4,2(15 :85) (v/v) pumped through ODB 250× 4,6 mm, 5um column at a flow rate of 1ml/min, loop of 20ul. In this condition, the validation of this technique showed that it is linear in a range of 0,01 to 10ug/ml with a good correlation coefficient ( R>0,9997), retention time of cefotaxime, cefazolin was 9.0, 10.1 respectively, the statistical evaluation of the method was examined by means of within day (n=6) and day to day (n=5) and was found to be satisfactory with high accuracy and precision.

Keywords: cefazolin, cefotaxime, HPLC, bioscience, biochemistry, pharmaceutical

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Authors: Fouad Berrabah, Saad Salah, Zaamouche Fares

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In this paper, the Direct Torque Control (DTC) Control and the Sliding Mode Control for induction motor are presented and compared. The performance of the two control schemes is evaluated in terms of torque and current ripple, and transient response to variations of the torque , speed and robustness, trajectory tracking. In order to identify the more suitable solution for any application, both techniques are analyzed mathematically and simulation results are compared which advantages and drawbacks are discussed.

Keywords: induction motor, DTC- MRAS control, sliding mode control, robustness, trajectory tracking

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Authors: Salah Ghamari

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In this study, the ability of self organizing map artificial (SOM) neural networks in clustering the wheat seeds varieties according to morphological properties of them was considered. The SOM is one type of unsupervised competitive learning. Experimentally, five morphological features of 300 seeds (including three varieties: gaskozhen, Md and sardari) were obtained using image processing technique. The results show that the artificial neural network has a good performance (90.33% accuracy) in classification of the wheat varieties despite of high similarity in them. The highest classification accuracy (100%) was achieved for sardari.

Keywords: artificial neural networks, clustering, self organizing map, wheat variety

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Authors: Hellal Abdelkader, Chafaa Salah, Boudjemaa Fouzia

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A new, convenient, and high yielding procedure for the preparation of diethyl α-aminophosphonates in water via Kabachnik-Fields reaction by one-pot reaction of aromatic aldehydes, ortho-aminophenols, and dialkylphosphites in the presence of a low catalytic amount of citric, malic, tartaric, and oxalic acids as a natural, bi-functional, and highly stable catalyst is described, the obtained products were characterized by elemental analyses, molar conductance, magnetic susceptibility, FTIR, Uv-Vis spectral data, NMR-C, NMR-H, and NMR-P analyses.

Keywords: α-aminophosphonates, aminophenols, natural acids, aqueous media, Kabachnik-Fields reaction

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Authors: Wissem Abdaoui, Ilhem Mokhtari, Adel Gouri, Benouareth Djamel Eddine

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Contracted in a health facility, hospital-acquired infections are a major public health problem in recent years. The increase of nosocomial infections is partly related to diagnostic and therapeutic advances in medicine. The aim of our study was to isolate and diagnose some types of bacteria that are circulating in the hospital by performing different samples at two medical services: Pulmonary and Infectious Diseases. The antibiotic susceptibility tests were performed for bacterial isolates. The results have shown that there is a predominance of enterobacteria followed by the staphylococcus with its two species epidermidis ans saprophyticus. The study of the antibiogramme identified that some of these bacteria have a resistant profile against all the tested antibiotics. The fight against nosocomial infections is difficult because it must act on several factors: quality of care, safety of the hospital environment, hygiene, wearing gloves etc. are all areas that should be of heightened vigilance and preventive measures.

Keywords: nosocomial infection, isolation, identification, sensitivity and resistance to antibiotics

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Authors: Zine-Eddine Bouras, Abdelouaheb Talai

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During the last two decades, the software evolution community has intensively tackled the software merging issue whose main objective is to merge in a consistent way different versions of software in order to obtain a new version. Well-established approaches, mainly based on the dependence analysis techniques, have been used to bring suitable solutions. These approaches concern the source code or software architectures. However, these solutions are more expensive due to the complexity and size. In this paper, we overcome this problem by operating at a high level of abstraction. The objective of this paper is to investigate the software merging at the level of UML activity diagrams, which is a new interesting issue. Its purpose is to merge activity diagrams instead of source code. The proposed approach, based on dependence analysis techniques, is illustrated through an appropriate case study.

Keywords: activity diagram, activity diagram slicing, dependency analysis, software merging

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Authors: El Kolli Meriem, Laouer Hocine, Sahli Farida, Akkal Salah, El Kolli Hayet

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The aerial parts of Daucus gracilis (Apiaceae) were subjected to hydrodistillation by a Clevenger apparatus to obtain the essential oil (EO) which has been analyzed by Gas Chromatography (GC) and GC coupled with mass spectrometry. The antioxidant properties of this EO and D. gracilis methanolic extract were studied by both of the free diphenyl-1-picrylhydrazyl (DPPH) radical scavenging and the reducing power techniques. The dominant constituents of the EO were the elemicin (35.3 %) and the geranyl acetate (26.8 %). Both of EO and methanolic extract showed important antioxidant properties with respectively IC50 of 0,002 mg/ml and 0.06 mg/ml. They showed also a reducing power dose-dependent.

Keywords: daucus gracilis, apiaceae, essential oil, antioxidant activity

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Authors: Said Boukais, Ali Kezmane, Kahil Amar, Mohand Hamizi, Hannachi Neceur Eddine

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This paper presents an analytical study on the behavior of rectangular reinforced concrete walls with an aspect ratio between one and tow. Several experiments on such walls have been selected to be studied. Database from various experiments were collected and nominal wall strengths have been calculated using formulas, such as those of the ACI (American), NZS (New Zealand), Mexican (NTCC), and Wood equation for shear and strain compatibility analysis for flexure. Subsequently, nominal ultimate wall strengths from the formulas were compared with the ultimate wall strengths from the database. These formulas vary substantially in functional form and do not account for all variables that affect the response of walls. There is substantial scatter in the predicted values of ultimate strength. New semi empirical equation are developed using data from tests of 46 walls with the objective of improving the prediction of ultimate strength of walls with the most possible accuracy and for all failure modes.

Keywords: prediction, ultimate strength, reinforced concrete walls, walls, rectangular walls

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Authors: Bendiabdellah Azzeddine, Cherif Bilal Djamal Eddine

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The three-phase power converter voltage structure is widely used in many power applications but its failure can lead to partial or total loss of control of the phase currents and can cause serious system malfunctions or even a complete system shutdown. To ensure continuity of service in all circumstances, effective and rapid techniques of detection and location of inverter fault is to be implemented. The present paper is dedicated to open-circuit fault detection in a three-phase two-level inverter fed induction motor. For detection purpose, the proposed contribution addresses the Park’s current vectors associated to a polar coordinates calculation tool to compute the exact value of the fault angle corresponding directly to the faulty IGBT switch. The merit of the proposed contribution is illustrated by experimental results.

Keywords: diagnosis, detection, Park’s vectors, polar coordinates, open-circuit fault, inverter, IGBT switch

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Authors: Bouras Zine Eddine, Talai Abdelouaheb

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The need to merge software artifacts seems inherent to modern software development. Distribution of development over several teams and breaking tasks into smaller, more manageable pieces are an effective means to deal with the kind of complexity. In each case, the separately developed artifacts need to be assembled as efficiently as possible into a consistent whole in which the parts still function as described. Also, earlier changes are introduced into the life cycle and easier is their management by designers. Interaction-based specifications such as UML sequence diagrams have been found effective in this regard. As a result, sequence diagrams can be used not only for capturing system behaviors but also for merging changes in order to create a new version. The objective of this paper is to suggest a new approach to deal with the problem of software merging at the level of sequence diagrams by using the concept of dependence analysis that captures, formally, all mapping and differences between elements of sequence diagrams and serves as a key concept to create a new version of sequence diagram.

Keywords: system behaviors, sequence diagram merging, dependence analysis, sequence diagram slicing

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Authors: Naima Ikken, Abdelhadi Bouknadel, Nour-eddine Tariba Ahmed Haddou, Hafsa El Omari

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The operation of grid-connected inverters necessity a single-phase phase locked loop (PLL) is proposed in this article to accurately and quickly estimate and detect the grid phase angle. This article presents the improvement of a method of phase-locked loop. The novelty is to generate a method (PLL) of synchronizing the grid with a Notch filter based on adaptive fuzzy logic for inverter systems connected to the grid. The performance of the proposed method was tested under normal and abnormal operating conditions (amplitude, frequency and phase shift variations). In addition, simulation results with ISPM software are developed to verify the effectiveness of the proposed method strategy. Finally, the experimental test will be used to extract the result and discuss the validity of the proposed algorithm.

Keywords: phase locked loop, PLL, notch filter, fuzzy logic control, grid connected inverters

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Authors: Asma Bettahar, Imed Eddine Nezli, Sameh Habes

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Groundwater resources in the Oued Righ valley are represented like the parts of the eastern basin of the Algerian Sahara, superposed by two major aquifers: the Intercalary Continental (IC) and the Terminal Complex (TC). From a qualitative point of view, various studies have highlighted that the waters of this region showed excessive mineralization, including the waters of the terminal complex (EC Avg equal 5854.61 S/cm) .The present article is a statistical approach by two multi methods various complementary (ACP, CAH), applied to the analytical data of multilayered aquifer waters Terminal Complex of the Oued Righ valley. The approach is to establish a correlation between the chemical composition of water and the lithological nature of different aquifer levels formations, and predict possible connection between groundwater’s layers. The results show that the mineralization of water is from geological origin. They concern the composition of the layers that make up the complex terminal.

Keywords: complex terminal, mineralization, oued righ, statistical approach

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Authors: Marco Avila Lopez, Hasnae Ait-Douchi, Silvia De Los Santos, Badr Eddine Lebrouhi, Pamela Ramírez Vidal

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In the context of the energy transition, fuel cell technology has emerged as a solution for harnessing hydrogen energy and mitigating greenhouse gas emissions. An in-depth study was conducted on a PEMFC-type fuel cell, with an initiation of an analysis of its operational principles and constituent components. Subsequently, the modelling of the fuel cell was undertaken using the Python programming language, encompassing both steady-state and transient regimes. In the case of the steady-state regime, the physical and electrochemical phenomena occurring within the fuel cell were modelled, with the assumption of uniform temperature throughout all cell compartments. Parametric identification was carried out, resulting in a remarkable mean error of only 1.62% when the model results were compared to experimental data documented in the literature. The dynamic model that was developed enabled the scrutiny of the fuel cell's response in terms of temperature and voltage under varying current conditions.

Keywords: fuel cell, modelling, dynamic, thermal model, PEMFC

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Authors: Salah Menouar, Sara Hassoul

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The dynamic of time-dependent three coupled oscillators is studied through an approach based on decoupling of them using the unitary transformation method. From a first unitary transformation, the Hamiltonian of the complicated original system is transformed to an equal but a simple one associated with the three coupled oscillators of which masses are unity. Finally, we diagonalize the matrix representation of the transformed hamiltonian by using a unitary matrix. The diagonalized Hamiltonian is just the same as the Hamiltonian of three simple oscillators. Through these procedures, the coupled oscillatory subsystems are completely decoupled. From this uncouplement, we can develop complete dynamics of the whole system in an easy way by just examining each oscillator independently. Such a development of the mechanical theory can be done regardless of the complication of the parameters' variations.

Keywords: schrödinger equation, hamiltonian, time-dependent three coupled oscillators, unitary transformation

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Authors: Hamid Maidat, Khedidja Bouhadef, Djamel Eddine Ameziani, Azzedine Abdedou

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This work consists of a numerical simulation of convective heat transfer in a vertical plane channel filled with a heat generating porous medium, in the absence of local thermal equilibrium. The walls are maintained to a constant temperature and the inlet velocity is uniform. The dynamic range is described by the Darcy-Brinkman model and the thermal field by two energy equations model. A dimensionless formulation is developed for performing a parametric study based on certain dimensionless groups such as, the Biot interstitial number, the thermal conductivity ratio and the volumetric heat generation. The governing equations are solved using the finite volume method, gave rise to a multitude of results concerning in particular the thermal field in the porous channel and the existence or not of the local thermal equilibrium.

Keywords: local thermal non equilibrium model, mixed convection, porous medium, power generation

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Authors: Imad Eddine Rezouani, Khalil Draidi, Badis bakhouche, Selman Anes Chabani

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The Algerian coast is an important site for wintering and migratory birds. Four species of shorebirds were surveyed, including Kentish plover Charadrius alexandrinus, Little ringed plover Charadrius dubius, Common ringed plover Charadrius hiaticula, and black-winged stilt Himantopus hilarious in three different sites, two important wetlands: Reghaia lake and Macta and a small area Sublette promenade to provide a new data about time activity budget. The study found a higher frequency of abundance in April during the study period (February to May), with a mean of 49. Estimating the temporal activity budget of these coastal birds, it was found that there were three main activities in different proportions between males and females: Pecking (29.51 ％) for males, (26.59％) for females, Looking above (28.01％) for males, (19.54 ％) for females And Away (9.95％) for males, (11.75％), contrarily the two previous one. Differences between study areas revealed differences in species behavior and distribution.

Keywords: wetland, behavioral, algerian coast, shorebirds, time budget activity

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Authors: Sameh Frikha, Mohamed Salah Abid

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We investigate the performance of an integrated cascade (IC) refrigeration system which uses environment friendly zeotropic mixtures. Computational calculation has been carried out by varying pressure level at the evaporator and the condenser of the system. Effects of mass flow rate of the refrigerant on the coefficient of performance (COP) are presented. We show that the integrated cascade system produces ultra-low temperatures in the evaporator by using environment friendly zeotropic mixture.

Keywords: coefficient of performance, environment friendly zeotropic mixture, integrated cascade, ultra low temperature, vapor compression refrigeration cycles

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Authors: Ahmed Emad, Ahmed Salah, Abdelrahman Magdy, Omar Rashid, Mohammed Adel

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This research paper discusses vehicle-to-vehicle technology as an important application of linear algebra. This communication technology represents an efficient and promising application to help to ensure the safety of the drivers by warning them when a crash possibility is close. The major link that combines our topic with linear algebra is the Laplacian matrix. Some main definitions used in the V2V were illustrated, such as VANET and its characteristics. The V2V technology could be applied in different applications with different traffic scenarios and various ways to warn car drivers. These scenarios were simulated programs such as MATLAB and Python to test how the V2V system would respond to the different scenarios and warn the car drivers exposed to the threat of collisions.

Keywords: V2V communication, vehicle to vehicle scenarios, VANET, FCW, EEBL, IMA, Laplacian matrix

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Authors: Belmiloud Mohamed Amine, Sad Chemloul Nord-Eddine

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In this study we investigated numerically heat transfer by mixed convection coupled to radiation in a square cavity; the upper horizontal wall is movable. The purpose of this study is to see the influence of the emissivity and the varying of the Richardson number on the variation of the average Nusselt number. The vertical walls of the cavity are differentially heated, the left wall is maintained at a uniform temperature higher than the right wall, and the two horizontal walls are adiabatic. The finite volume method is used for solving the dimensionless governing equations. Emissivity values used in this study are ranged between 0 and 1, the Richardson number in the range 0.1 to10. The Rayleigh number is fixed to Ra = 10000 and the Prandtl number is maintained constant Pr = 0.71. Streamlines, isothermal lines and the average Nusselt number are presented according to the surface emissivity. The results of this study show that the Richardson number and emissivity affect the average Nusselt number.

Keywords: mixed convection, square cavity, wall emissivity, lid-driven, numerical study

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Authors: Khaled Salah

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In this paper, we present MCERTL (mutation-based correction engine for RTL designs) as an automatic error correction technique based on mutation analysis. A mutation-based correction methodology is proposed to automatically fix the erroneous RTL designs. The proposed strategy combines the processes of mutation and assertion-based localization. The erroneous statements are mutated to produce possible fixes for the failed RTL code. A concurrent mutation engine is proposed to mitigate the computational cost of running sequential mutants operators. The proposed methodology is evaluated against some benchmarks. The experimental results demonstrate that our proposed method enables us to automatically locate and correct multiple bugs at reasonable time.

Keywords: bug localization, error correction, mutation, mutants

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Authors: Sheren H. Salah, Ahmed Y. Ben Sasi

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The inverted pendulum system is a classic control problem that is used in universities around the world. It is a suitable process to test prototype controllers due to its high non-linearities and lack of stability. The inverted pendulum represents a challenging control problem, which continually moves toward an uncontrolled state. This paper presents the possibility of balancing an inverted pendulum system using sliding mode control (SMC). The goal is to determine which control strategy delivers better performance with respect to pendulum’s angle and cart's position. Therefore, proportional-integral-derivative (PID) is used for comparison. Results have proven SMC control produced better response compared to PID control in both normal and noisy systems.

Keywords: inverted pendulum (IP), proportional-integral derivative (PID), sliding mode control (SMC), systems and control engineering

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Authors: Samira Boussema, Ben Hamed Salah

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Entrepreneurship was always considered to be the most appropriate remedy for various economies’ symptoms. It is presented as a complex process that faces several barriers thereby inhibiting a project’s implementation phase. In fact, after a careful review of the literature, we noticed that empirical researches on reasons behind non-developing entrepreneurial projects are very rare, suggesting a lack in modeling the process in general and the pre-start phase in particular. Therefore, in this study we try to identify the main environmental barriers to developing business projects in Tunisia through the study of a representative sample of undeveloped projects. To this end, we used a quantitative approach which allowed us to examine the various barriers encountered by young entrepreneurs during their projects’ implementation. Indeed, by modeling the phenomenon we found that these managers face barriers of legal, financial, educational and government support dimensions.

Keywords: entrepreneurship, environmental barriers, non-implementation of projects, structural modeling

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Authors: Sara Ibn El Ahrache, Tajje-eddine Rachidi, Hassan Badir, Abderrahmane Sbihi

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Recently, there has been increasing confidence for a favorable usage of big data drawn out from the huge amount of information deposited in a cloud computing system. Data kept on such systems can be retrieved through the network at the user’s convenience. However, the data that users send include private information, and therefore, information leakage from these data is now a major social problem. The usage of secret sharing schemes for cloud computing have lately been approved to be relevant in which users deal out their data to several servers. Notably, in a (k,n) threshold scheme, data security is assured if and only if all through the whole life of the secret the opponent cannot compromise more than k of the n servers. In fact, a number of secret sharing algorithms have been suggested to deal with these security issues. In this paper, we present a Mapreduce implementation of Shamir’s secret sharing scheme to increase its performance and to achieve optimal security for cloud data. Different tests were run and through it has been demonstrated the contributions of the proposed approach. These contributions are quite considerable in terms of both security and performance.

Keywords: cloud computing, data security, Mapreduce, Shamir's secret sharing

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Authors: Tewfik Bouchaour, Salah Hamri, Yasmina Houda Bendahma, Ulrich Maschke

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Stimuli-responsive materials based on UV crosslinked acrylic polymer networks are fabricated. A various kinds of polymeric systems, hydrophilic polymers based on 2-Hydroxyethyl methacrylate have been widely studied because of their ability to simulate biological tissues, which leads to many applications. The acrylic polymer network PHEMA developed by UV photopolymerization has been used for dye retention. For these so-called smart materials, the properties change in response to an external stimulus. In this contribution, we report the influence of some parameters (initial composition, temperature, and nature of components) in the properties of final materials. Optimization of different parameters is examined by experimental design.

Keywords: UV photo-polymerization, PHEMA, external stimulus, optimization

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Authors: Mohamed Boualem Salah

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This work involves an experimental study of the behavior of chlef sand under effect of various parameters influencing on shear strength. Because of their distinct nature, sands, silts and clays exhibit completely different behavior (shear strength, the contracting and dilatancy, the angle of internal friction and cohesion etc.). By cons when these materials are mixed, their behavior will become different from each considered alone. The behavior of these mixtures (silty sands etc.) is currently the state of several studies to better use. We studied in this work: The influence of the following factors on the shear strength: (The density, the fines content, the water content). The apparatus used for the tests is the shear box casagrande. This device, although one may have some disadvantages and modern instrumentation is appropriate used to study the shear strength of soils.

Keywords: behavior, shear strength, sand, silt, friction angle, cohesion, fines content, moisture content

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Authors: Salah Hamri, Tewfik Bouchaour, Ulrich Maschke

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The aim of this works is the study of swelling ratio of cross-linked polymer networks poly (2-hydroxyethyl methacrylate) (PHEMA). The system composed of erythrosine and Triethanolamine, in aqueous medium, is used as photo-initiator and 1,6-Hexanediol diacrylate as cross-linker. The analysis of UV-visible and infrared spectra, which were taken at different times during polymerization/cross linking, makes it possible to obtain useful information on the reaction mechanism. The swelling behavior was study by changing the nature of solvent, dye sensitizer (erythrosine, rose Bengal and eosin), and pH of the medium. The exploitation of experimental results using Fick diffusion model is also expected and shows a good correlation between theoretical and experimental results.

Keywords: cross-linker, photo-sensitizer, polymer network, swelling ratio

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Authors: Lynda Beddek, Nadhir Attaf, Mohamed Salah Aida

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PbS thin films were grown on glass substrates by chemical bath deposition (CBD). The precursor aqueous bath contained 1 mole of lead nitrate, 1 mole of Thiourea and complexing agents (triethanolamine (TEA) and NaOH). Bath temperature and deposition time were fixed at 60°C and 3 hours, respectively. However, the PH of bath was varied from 10.5 to 12.5. Structural properties of the deposited films were characterized by X-ray diffraction and Raman spectroscopy. The preferred direction was revealed to be along (111) and the PbS crystal structure was confirmed. Strains and grains sizes were also calculated. Optical studies showed that films thicknesses do not exceed 600nm. Energy band gap values of films decreases with increase in pH and reached a value ~ 0.4eV at pH equal 12.5. The small value of the energy band gap makes PbS one of the most interesting candidate for solar energy conversion near the infrared ray.

Keywords: CBD, PbS, pH, thin films, x-ray diffraction

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Authors: Imad Eddine Charif, Wafaa Benchouk, Sidi Mohamed Mekelleche

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The regioselectivity of a series of 16 1,3-dipolar cycloaddition reactions of nitrile oxides with 2(5H)-furanones has been analysed by means of global and local electrophilic and nucleophilic reactivity indices using density functional theory at the B3LYP level together with the 6-31G(d) basis set. The local electrophilicity and nucleophilicity indices, based on Fukui and Parr functions, have been calculated for the terminal sites, namely the C1 and O3 atoms of the 1,3-dipole and the C4 and C5 atoms of the dipolarophile. These local indices were calculated using both Mulliken and natural charges and spin densities. The results obtained show that the C5 atom of the 2(5H)-furanones is the most electrophilic site whereas the O3 atom of the nitrile oxides is the most nucleophilic centre. It turns out that the experimental regioselectivity is correctly reproduced, indicating that both Fukui- and Parr-based indices are efficient tools for the prediction of the regiochemistry of the studied reactions and could be used for the prediction of newly designed reactions of the same kind.

Keywords: 1, 3-dipolar cycloaddition, density functional theory, nitrile oxides, regioselectivity, reactivity indices

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Authors: Imad Eddine Charif, Sidi Mohamed Mekelleche, Didier Villemin

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The solvent effects on the keto-enol tautomeric equilibriums of acetylacetone and dimedone are theoretically investigated at the correlated Becke-3-parameter-Lee-Yang-Parr (B3LYP) and second-order Møller-Plesset (MP2) computational levels. The present study shows that the most stable keto tautomer of acetylacetone corresponds to the trans-diketo, E,Z form; while the most stable enol tautomer corresponds to the closed cis-enol,Z,Z form. The keto tautomer of dimedone prefers the trans diketo, E, E form; while the most stable enol tautomer corresponds to trans-enol form. The calculated free Gibbs enthalpies indicate that, in polar solvents, the keto-enol equilibrium of acetylacetone is shifted toward the keto tautomer; whereas the keto-enol equilibrium of dimedone is shifted towards the enol tautomer. The experimental trends of the change of equilibrium constants with respect to the change of solvent polarity are well reproduced by both B3LYP and MP2 calculations.

Keywords: acetylacetone, dimedone, solvent effects, keto-enol equilibrium, theoretical calculations

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