Search results for: Salem S. Alghamdi
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 79

Search results for: Salem S. Alghamdi

79 The Analogue of a Property of Pisot Numbers in Fields of Formal Power Series

Authors: Wiem Gadri

Abstract:

This study delves into the intriguing properties of Pisot and Salem numbers within the framework of formal Laurent series over finite fields, a domain where these numbers’ spectral characteristics, Λm(β) and lm(β), have yet to be fully explored. Utilizing a methodological approach that combines algebraic number theory with the analysis of power series, we extend the foundational work of Erdos, Joo, and Komornik to this setting. Our research uncovers bounds for lm(β), revealing how these depend on the degree of the minimal polynomial of β and thus offering a characterization of Pisot and Salem formal power series. The findings significantly contribute to our understanding of these numbers, highlighting their distribution and properties in the context of formal power series. This investigation not only bridges number theory with formal power series analysis but also sets the stage for further interdisciplinary research in these areas.

Keywords: Pisot numbers, Salem numbers, Formal power series, Minimal polynomial degree.

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78 Agro-Morphological Characterization of Vicia faba L. Accessions in the Kingdom of Saudi Arabia

Authors: Zia Amjad, Salem S. Alghamdi

Abstract:

The study was conducted at the student educational farm at the College of Food and Agriculture in the Kingdom of Saudi Arabia. The aim of study was to characterize 154 Vicia faba L. accessions using agro-morphological traits based on The International Union for the Protection of New Varieties of Plants (UPOV) and The International Board for Plant Genetic Resources (IBPGR) descriptors. This research is significant as it contributes to the understanding of the genetic diversity and potential yield of V. faba in Saudi Arabia. In the study, 24 agro-morphological characters including 11 quantitative and 13 qualitative were observed for genetic variation. All the results were analyzed using multivariate analysis i.e., principal component analysis (PCA). First, six principal components (PC) had eigenvalues greater than one; accounted for 72% of available V. faba genetic diversity. However, first three components revealed more than 10% of genetic diversity each i.e., 22.36%, 15.86% and 10.89% respectively. PCA distributed the V. faba accessions into different groups based on their performance for the characters under observation. PC-1, which represented 22.36% of the genetic diversity, was positively associated with stipule spot pigmentation, intensity of streaks, pod degree of curvature and to some extent with 100 seed weight. PC-2 covered 15.86 of the genetic diversity and showed positive association for average seed weight per plant, pod length, number of seeds per plant, 100 seed weight, stipule spot pigmentation, intensity of streaks (same as in PC-1) and to some extent for pod degree of curvature and number of pods per plant. PC-3 revealed 10.89% of genetic diversity and expressed positive association for number of pods per plant and number of leaflets per plant. This study contributes to the understanding of the genetic diversity and potential yield of V. faba in the Kingdom of Saudi Arabia. By establishing a core collection of V. faba, the research provides a valuable resource for future conservation and utilization of this crop worldwide.

Keywords: Agro-morphological characterization, genetic diversity, core collection, PCA, Vicia faba L.

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77 Two Concurrent Convolution Neural Networks TC*CNN Model for Face Recognition Using Edge

Authors: T. Alghamdi, G. Alaghband

Abstract:

In this paper we develop a model that couples Two Concurrent Convolution Neural Network with different filters (TC*CNN) for face recognition and compare its performance to an existing sequential CNN (base model). We also test and compare the quality and performance of the models on three datasets with various levels of complexity (easy, moderate, and difficult) and show that for the most complex datasets, edges will produce the most accurate and efficient results. We further show that in such cases while Support Vector Machine (SVM) models are fast, they do not produce accurate results.

Keywords: Convolution neural network, edges, face recognition, support vector machine.

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76 Change Point Analysis in Average Ozone Layer Temperature Using Exponential Lomax Distribution

Authors: Amjad Abdullah, Amjad Yahya, Bushra Aljohani, Amani S. Alghamdi

Abstract:

Change point detection is an important part of data analysis. The presence of a change point refers to a significant change in the behavior of a time series. In this article, we examine the detection of multiple change points of parameters of the exponential Lomax distribution, which is broad and flexible compared with other distributions while fitting data. We used the Schwarz information criterion and binary segmentation to detect multiple change points in publicly available data on the average temperature in the ozone layer. The change points were successfully located.

Keywords: Binary segmentation, change point, exponential Lomax distribution, information criterion.

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75 Modelling and Analyzing a Hospital Procedureusing a Petri-Net Approach

Authors: Mourtou Efstratia, Abdel-Badeeh M. Salem, Pavlidis George

Abstract:

Hierarchical high-level PNs (HHPNs) with time versions are a useful tool to model systems in a variety of application domains, ranging from logistics to complex workflows. This paper addresses an application domain which is receiving more and more attention: procedure that arranges the final inpatient charge in payment-s office and their management. We shall prove that Petri net based analysis is able to improve the delays during the procedure, in order that inpatient charges could be more reliable and on time.

Keywords: eHealth, Petri-Nets, Hospital Services, InpatientCharges, Workflow Modeling.

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74 Government Initiatives: The Missing Key for E-commerce Growth in KSA

Authors: R. AlGhamdi, S. Drew, S. Alkhalaf

Abstract:

This paper explores the issues that influence online retailing in Saudi Arabia. Retailers in Saudi Arabia have been reserved in their adoption of electronically delivered aspects of their business. Despite the fact that Saudi Arabia has the largest and fastest growth of ICT marketplaces in the Arab region, e-commerce activities are not progressing at the same speed. Only very few Saudi companies, mostly medium and large companies from the manufacturing sector, are involved in e-commerce implementation. Based on qualitative data collected by conducting interviews with 16 retailers and 16 potential customers in Saudi Arabia, several factors influencing online retailing diffusion in Saudi Arabia are identified. However, government support comes the highest and most influencing factor for online retailing growth as identified by both parties; retailers and potential customers in Saudi Arabia.

Keywords: government support, key factor, online retailing growth, Saudi Arabia

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73 Transfer Knowledge from Multiple Source Problems to a Target Problem in Genetic Algorithm

Authors: Tami Alghamdi, Terence Soule

Abstract:

To study how to transfer knowledge from multiple source problems to the target problem, we modeled the Transfer Learning (TL) process using Genetic Algorithms as the model solver. TL is the process that aims to transfer learned data from one problem to another problem. The TL process aims to help Machine Learning (ML) algorithms find a solution to the problems. The Genetic Algorithms (GA) give researchers access to information that we have about how the old problem is solved. In this paper, we have five different source problems, and we transfer the knowledge to the target problem. We studied different scenarios of the target problem. The results showed that combined knowledge from multiple source problems improves the GA performance. Also, the process of combining knowledge from several problems results in promoting diversity of the transferred population.

Keywords: Transfer Learning, Multiple Sources, Knowledge Transfer, Domain Adaptation, Source, Target.

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72 Stochastic Control of Decentralized Singularly Perturbed Systems

Authors: Walid S. Alfuhaid, Saud A. Alghamdi, John M. Watkins, M. Edwin Sawan

Abstract:

Designing a controller for stochastic decentralized interconnected large scale systems usually involves a high degree of complexity and computation ability. Noise, observability, and controllability of all system states, connectivity, and channel bandwidth are other constraints to design procedures for distributed large scale systems. The quasi-steady state model investigated in this paper is a reduced order model of the original system using singular perturbation techniques. This paper results in an optimal control synthesis to design an observer based feedback controller by standard stochastic control theory techniques using Linear Quadratic Gaussian (LQG) approach and Kalman filter design with less complexity and computation requirements. Numerical example is given at the end to demonstrate the efficiency of the proposed method.

Keywords: Decentralized, optimal control, output, singular perturb.

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71 Enhancement of Shape Description and Representation by Slope

Authors: Ali Salem Bin Samma, Rosalina Abdul Salam

Abstract:

Representation and description of object shapes by the slopes of their contours or borders are proposed. The idea is to capture the essence of the features that make it easier for a shape to be stored, transmitted, compared and recognized. These features must be independent of translation, rotation and scaling of the shape. A approach is proposed to obtain high performance, efficiency and to merge the boundaries into sequence of straight line segments with the fewest possible segments. Evaluation on the performance of the proposed method is based on its comparison with established method of object shape description.

Keywords: Shape description, Shape representation and Slope.

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70 Investigating the Influence of Porosity on Thermal and Mechanical Properties of a C/C Composite Using Image Based FE Modelling

Authors: Abdulrahman A. Alghamdi, Paul M. Mummery, Mohammad A. Sheikh

Abstract:

In this paper, 3D image based composite unit cell is constructed from high resolution tomographic images. Through-thickness thermal diffusivity and in-plane Young’s modulus are predicted for the composite unit cell. The accuracy of the image based composite unit cell is tested by comparing its results with the experimental results obtained from laser flash and tensile test. The FE predictions are in close agreement with experimental results. Through-thickness thermal diffusivity and in-plane Young’s modulus of a virgin C/C composite are predicted by replacing the properties of air (porosity) with the properties of carbon matrix. The effect of porosity was found to be more profound on thermal diffusivity than young’s modulus.

Keywords: Porosity, C/C composite, image based FE modelling, CMC.

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69 Simulation Studies on Concentrating Type Solar Cookers

Authors: V. K. Krishnan, T. Balusamy

Abstract:

A solar dish collector has been designed, fabricated and tested for its performance on 10-03-2015 in Salem, Tamilnadu, India. The experiments on cooking vessels of coated and un-coated with 5 Liters capacity have been used for cooking Rice. The results are shown in graphs. The solar cooker is always capable of cooking food within the expected length of time and based on the solar radiation levels. With minimum cooking power, the coated pressure cooker of 5 Liters capacity cooks the food at faster manner. This is due to the conductivity of the coating material provided in the cooker.

Keywords: Solar cooker, solar concentrator type, thermal performance, simulation.

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68 Learning and Evaluating Possibilistic Decision Trees using Information Affinity

Authors: Ilyes Jenhani, Salem Benferhat, Zied Elouedi

Abstract:

This paper investigates the issue of building decision trees from data with imprecise class values where imprecision is encoded in the form of possibility distributions. The Information Affinity similarity measure is introduced into the well-known gain ratio criterion in order to assess the homogeneity of a set of possibility distributions representing instances-s classes belonging to a given training partition. For the experimental study, we proposed an information affinity based performance criterion which we have used in order to show the performance of the approach on well-known benchmarks.

Keywords: Data mining from uncertain data, Decision Trees, Possibility Theory.

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67 Numerical Simulation of High Pressure Hydrogen Emerges to Air

Authors: Mohamed H. Elhsnawi, Mesbah M. Salem, Saleh B. Mohamed

Abstract:

Numerical simulation performed to investigate the behavior of the high pressure hydrogen jetting of air. High pressure hydrogen (30–40 MPa) was injected to air at atmospheric pressure through 2mm orifice. Numerical simulations were performed with Kiva3V code with 2D axisymmetric geometry. Numerical simulations showed that auto ignition of high pressure hydrogen to air are possible due to molecular diffusion. Auto ignition was predicted at hydrogen-air contact surface due to mass and energy exchange between high temperature hydrogen and air heated by shock wave.

Keywords: Spontaneous Ignition, Diffusion Ignition, Hydrogen ignition, Hydrogen Jet.

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66 Antenna Array Beamforming Using Neural Network

Authors: Maja Sarevska, Abdel-Badeeh M. Salem

Abstract:

This paper considers the problem of Null-Steering beamforming using Neural Network (NN) approach for antenna array system. Two cases are presented. First, unlike the other authors, the estimated Direction Of Arrivals (DOAs) are used for antenna array weights NN-based determination and the imprecise DOAs estimations are taken into account. Second, the blind null-steering beamforming is presented. In this case the antenna array outputs are presented at the input of the NN without DOAs estimation. The results of computer simulations will show much better relative mean error performances of the first NN approach compared to the NNbased blind beamforming.

Keywords: Beamforming, DOAs, neural network.

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65 Activation of Prophenoloxidase during Bacterial Injection into the Desert Locust, Schistocerca Gregaria

Authors: Shaiemaa, A. Momen, Dalia, A.M. Salem, Emad, M.S. Barakat, Mohamed, S. Salama

Abstract:

The present study has been conducted to characterize the prophenoloxidase (PPO) system of the desert locust, Schistocerca gregaria following injection of Bacillus thuringiensis kurstaki (Bt). The bulk of PPO system was associated with haemocytes and a little amount was found in plasma. This system was activated by different activators such as laminarin, lipopolysaccharide (LPS) and trypsin suggesting that the stimulatory mechanism may involve an enzyme cascade of one or more associated molecules. These activators did not activate all the molecules of the cascade. Presence of phenoloxidase activity (PO) coincides with the appearance of protein band with molecular weight (MW) 70.154 KD (Kilo Dalton).

Keywords: Schistocerca gregaria, haemolymph, proteins, prophenoloxidase system, phenoloxidase

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64 Case Based Reasoning Technology for Medical Diagnosis

Authors: Abdel-Badeeh M. Salem

Abstract:

Case based reasoning (CBR) methodology presents a foundation for a new technology of building intelligent computeraided diagnoses systems. This Technology directly addresses the problems found in the traditional Artificial Intelligence (AI) techniques, e.g. the problems of knowledge acquisition, remembering, robust and maintenance. This paper discusses the CBR methodology, the research issues and technical aspects of implementing intelligent medical diagnoses systems. Successful applications in cancer and heart diseases developed by Medical Informatics Research Group at Ain Shams University are also discussed.

Keywords: Medical Informatics, Computer-Aided MedicalDiagnoses, AI in Medicine, Case-Based Reasoning.

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63 Seat Assignment Problem Optimization

Authors: Mohammed Salem Alzahrani

Abstract:

In this paper the optimality of the solution of an existing real word assignment problem known as the seat assignment problem using Seat Assignment Method (SAM) is discussed. SAM is the newly driven method from three existing methods, Hungarian Method, Northwest Corner Method and Least Cost Method in a special way that produces the easiness & fairness among all methods that solve the seat assignment problem.

Keywords: Assignment Problem, Hungarian Method, Least Cost Method, Northwest Corner Method, Seat Assignment Method (SAM), A Real Word Assignment Problem.

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62 Detection and Classification of Power Quality Disturbances Using S-Transform and Wavelet Algorithm

Authors: Mohamed E. Salem Abozaed

Abstract:

Detection and classification of power quality (PQ) disturbances is an important consideration to electrical utilities and many industrial customers so that diagnosis and mitigation of such disturbance can be implemented quickly. S-transform algorithm and continuous wavelet transforms (CWT) are time-frequency algorithms, and both of them are powerful in detection and classification of PQ disturbances. This paper presents detection and classification of PQ disturbances using S-transform and CWT algorithms. The results of detection and classification, provides that S-transform is more accurate in detection and classification for most PQ disturbance than CWT algorithm, where as CWT algorithm more powerful in detection in some disturbances like notching

Keywords: CWT, Disturbances classification, Disturbances detection, Power quality, S-transform.

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61 Influences of Juice Extraction and Drying Methods on the Chemical Analysis of Lemon Peels

Authors: Azza A. Abou-Arab, Marwa H. Mahmoud, Ferial M. Abu-Salem

Abstract:

This study aimed to determine the influence of some different juice extraction methods (screw type hand operated juice extractor and pressed squeeze juice extractor) as well as drying methods (microwave, solar and oven drying) on the chemical properties of lemon peels. It could be concluded that extraction of juice by screw type and drying of peel using the microwave drying method were the best preparative processing steps methods for lemon peel utilization as food additives.

Keywords: Lemon peel, extraction of juice methods, chemical analysis.

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60 Seat Assignment Model for Student Admissions Process at Saudi Higher Education Institutions

Authors: Mohammed Salem Alzahrani

Abstract:

In this paper, student admission process is studied to optimize the assignment of vacant seats with three main objectives. Utilizing all vacant seats, satisfying all programs of study admission requirements and maintaining fairness among all candidates are the three main objectives of the optimization model. Seat Assignment Method (SAM) is used to build the model and solve the optimization problem with help of Northwest Coroner Method and Least Cost Method. A closed formula is derived for applying the priority of assigning seat to candidate based on SAM.

Keywords: Admission Process Model, Assignment Problem, Hungarian Method, Least Cost Method, Northwest Corner Method, Seat Assignment Method (SAM).

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59 K-Means for Spherical Clusters with Large Variance in Sizes

Authors: A. M. Fahim, G. Saake, A. M. Salem, F. A. Torkey, M. A. Ramadan

Abstract:

Data clustering is an important data exploration technique with many applications in data mining. The k-means algorithm is well known for its efficiency in clustering large data sets. However, this algorithm is suitable for spherical shaped clusters of similar sizes and densities. The quality of the resulting clusters decreases when the data set contains spherical shaped with large variance in sizes. In this paper, we introduce a competent procedure to overcome this problem. The proposed method is based on shifting the center of the large cluster toward the small cluster, and recomputing the membership of small cluster points, the experimental results reveal that the proposed algorithm produces satisfactory results.

Keywords: K-Means, Data Clustering, Cluster Analysis.

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58 VFAST TCP: A delay-based enhanced version of FAST TCP

Authors: Salem Belhaj, Moncef Tagina

Abstract:

This paper is aimed at describing a delay-based endto- end (e2e) congestion control algorithm, called Very FAST TCP (VFAST), which is an enhanced version of FAST TCP. The main idea behind this enhancement is to smoothly estimate the Round-Trip Time (RTT) based on a nonlinear filter, which eliminates throughput and queue oscillation when RTT fluctuates. In this context, an evaluation of the suggested scheme through simulation is introduced, by comparing our VFAST prototype with FAST in terms of throughput, queue behavior, fairness, stability, RTT and adaptivity to changes in network. The achieved simulation results indicate that the suggested protocol offer better performance than FAST TCP in terms of RTT estimation and throughput.

Keywords: Fast tcp, RTT, delay estimation, delay-based congestion control, high speed TCP, large bandwidth delay product.

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57 A Computational Cost-Effective Clustering Algorithm in Multidimensional Space Using the Manhattan Metric: Application to the Global Terrorism Database

Authors: Semeh Ben Salem, Sami Naouali, Moetez Sallami

Abstract:

The increasing amount of collected data has limited the performance of the current analyzing algorithms. Thus, developing new cost-effective algorithms in terms of complexity, scalability, and accuracy raised significant interests. In this paper, a modified effective k-means based algorithm is developed and experimented. The new algorithm aims to reduce the computational load without significantly affecting the quality of the clusterings. The algorithm uses the City Block distance and a new stop criterion to guarantee the convergence. Conducted experiments on a real data set show its high performance when compared with the original k-means version.

Keywords: Pattern recognition, partitional clustering, K-means clustering, Manhattan distance, terrorism data analysis.

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56 Removal of Tartrazine Dye form Aqueous Solutions by Adsorption on the Surface of Polyaniline/Iron Oxide Composite

Authors: Salem Ali Jebreil

Abstract:

In this work, a polyaniline/Iron oxide (PANI/Fe2O3) composite was chemically prepared by oxidative polymerization of aniline in acid medium, in presence of ammonium persulphate as an oxidant and amount of Fe2O3. The composite was characterized by a scanning electron microscopy (SEM). The prepared composite has been used as adsorbent to remove Tartrazine dye form aqueous solutions. The effects of initial dye concentration and temperature on the adsorption capacity of PANI/Fe2O3 for Tartrazine dye have been studied in this paper. The Langmuir and Freundlich adsorption models have been used for the mathematical description of adsorption equilibrium data. The best fit is obtained using the Freundlich isotherm with an R2 value of 0.998. The change of Gibbs energy, enthalpy, and entropy of adsorption has been also evaluated for the adsorption of Tartrazine onto PANI/ Fe2O3. It has been proved according the results that the adsorption process is endothermic in nature.

Keywords: Adsorption, Composite, dye, Polyaniline, Tartrazine.

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55 Molecular and Electronic Structure of Chromium (III) Cyclopentadienyl Complexes

Authors: Salem El-tohami Ashoor

Abstract:

Here, we have shown the reaction of [Cr(ArN(CH2)3NAr)2Cl2] (1) where (Ar = 2,6-Pri 2C6H3) and in presence of NaCp (2) (Cp= C5H5 = cyclopentadien), with a center coordination η5 interaction between Cp as co-ligand and chromium metal center, for optimization we used density functional theory (DFT), under methods, explicitly including electrons correlations, for the final calculations as MB3LYP (Becke) (Lee–Yang–Parr) level of theory we used to obtain more exact results. This complex was calculated as electronic energy for molecular system, because the calculation accounting all electrons correlations interactions. The optimised of [Cr(ArN(CH2)3NAr)2(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp = C5H5) was found to be thermally stable. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Chromium (III) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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54 Valorization of the Algerian Plaster and Dune Sand in the Building Sector

Authors: S. Dorbani, F. Kharchi, F. Salem, K. Arroudj, N. Chioukh

Abstract:

The need for thermal comfort of buildings, with the aim of saving energy, has always generated a big interest during the development of methods, to improve the mode of construction. In the present paper, which is concerned by the valorization of locally abundant materials, mixtures of plaster and dune sand have been studied. To point out the thermal performances of these mixtures, a comparative study has been established between this product and the two materials most commonly used in construction, the concrete and hollow brick. The results showed that optimal mixture is made with 1/3 plaster and 2/3 dune sand. This mortar achieved significant increases in the mechanical strengths, which allow it to be used as a carrier element for buildings, of up to two levels. The element obtained offers an acceptable thermal insulation, with a decrease the outer-wall construction thickness.

Keywords: Local materials, mortar, plaster, dune sand, compaction, mechanical performance, thermal performance.

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53 Synthesis, Investigation, DFT Study and Biological Activity of Zirconium (IV) Complexes

Authors: Salem El-t. Ashoor, Ibtisam M. Ediab

Abstract:

Zirconium diamine and triamine complexes can possess biological activities. These complexes were synthesised via the reaction of equimolar quantities of 1,10-phenanthroline {NC3H3(C6H2)NC3H3} (L1) or 4-4-amino phenazone {ONC6H5(NH)CH(NH2} (L2) or diphenyl carbizon {HNNCO(NH)2(C6H5)} (L3) with a Zirconium Salt {ZrOCl2} in a 1:1 ratio to form complexes [{NC3H3(C6H2)NC3H3}ZrOCl2}] [ZrOCl2L1], [{(O2NC6H4(NH)(NH2)}ZrOCl2] [ZrOCl2L2] and [{HNNCO(NH)2(C6H5)ZrOCl2}] [ZrOCl2L3] respectively. They were characterised using Fourier Transform Infrared (FT-IR) and UV-Visible spectroscopy. Also a variable temperature study of these complexes was completed, using UV-Visible spectroscopy to observe electronic transitions under temperature control. Also a DFT study was done on these complexes via the information from FT-IR and UV-Visible spectroscopy.

These complexes were found to show different inhibition to the growth of bacterial strains of Bacillus spp. & Klebsiella spp. & E. coli & Proteus spp. & Pseudomona spp. at different concentrations (0.001, 0.2 and 1M). For better understanding these complexes were examined by using a Density Functional Theory (DFT) calculation.

Keywords: (1:10-phenanthroline) (L1), 4-4-amino phenazone (L2), diphenyl carbizon (L3), DFT study, antibacterial.

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52 Prediction of the Characteristics of Transformer Oil under Different Operation Conditions

Authors: EL-Sayed M. M. EL-Refaie, Mohamed R. Salem, Wael A. Ahmed

Abstract:

Power systems and transformer are intrinsic apparatus, therefore its reliability and safe operation is important to determine their operation conditions, and the industry uses quality control tests in the insulation design of oil filled transformers. Hence the service period effect on AC dielectric strength is significant. The effect of aging on transformer oil physical, chemical and electrical properties was studied using the international testing methods for the evaluation of transformer oil quality. The study was carried out on six transformers operate in the field and for monitoring periods over twenty years. The properties which are strongly time dependent were specified and those which have a great impact on the transformer oil acidity, breakdown voltage and dissolved gas analysis were defined. Several tests on the transformers oil were studied to know the time of purifying or changing it, moreover prediction of the characteristics of it under different operation conditions.

Keywords: Dissolved Gas Analysis, Prediction, Purifying and Changing.

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51 Kinetics of Polyethylene Terephthalate (PET)and Polystyrene (PS) Dynamic Pyrolysis

Authors: S.M. Al-Salem, P. Lettieri

Abstract:

Thermo-chemical treatment (TCT) such as pyrolysis is getting recognized as a valid route for (i) materials and valuable products and petrochemicals recovery; (ii) waste recycling; and (iii) elemental characterization. Pyrolysis is also receiving renewed attention for its operational, economical and environmental advantages. In this study, samples of polyethylene terephthalate (PET) and polystyrene (PS) were pyrolysed in a microthermobalance reactor (using a thermogravimetric-TGA setup). Both polymers were prepared and conditioned prior to experimentation. The main objective was to determine the kinetic parameters of the depolymerization reactions that occur within the thermal degradation process. Overall kinetic rate constants (ko) and activation energies (Eo) were determined using the general kinetics theory (GKT) method previously used by a number of authors. Fitted correlations were found and validated using the GKT, errors were within ± 5%. This study represents a fundamental step to pave the way towards the development of scaling relationship for the investigation of larger scale reactors relevant to industry.

Keywords: Kinetics, PET, PS, Pyrolysis, Recycling, Petrochemicals.

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50 DFT Study of Half Sandwich of Vanadium (IV) Cyclopentadienyl Complexes

Authors: Salem El-tohami Ashoor

Abstract:

A novel new vanadium (IV) complexes incorporating the chelating diamido cyclopentadienyl {ArN(CH2)3NAr)}2-((ηn-Cp)Cp)} (Ar = 2,6-Pri2C6H3)(Cp = C5H5 and n = 1,2,3,4 and 5) have been studied with calculation of the properties of species involved in various of cyclopentadienyl reaction. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP (Becke) (Lee–Yang–Parr) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions.

The optimised of [V(ArN(CH2)3NAr)2Cl(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp= C5H5) was found to be thermally more stable than others of vanadium cyclopentadienyl. In the meantime the complex [V(ArN(CH2)3NAr)2Cl(η1-Cp)] (Ar = 2,6-Pri2C6H3 and Cp= C5H5) which is showed a low thermal stability in case of the just one carbon of cyclopentadienyl can be insertion with vanadium metal centre. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Vanadium(IV) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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