Search results for: Ammar Fakhir Abdulwahid

Authors: Thulodin Mat Lazim, Aminuddin Saat, Ammar Fakhir Abdulwahid, Zaid Sattar Kareem

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Film cooling is one of the cooling systems investigated for the application to gas turbine blades. Gas turbines use film cooling in addition to turbulence internal cooling to protect the blades outer surface from hot gases. The present study concentrates on the numerical investigation of film cooling performance for a row of twisted cylindrical holes in modern turbine blade. The adiabatic film effectiveness and the heat transfer coefficient are determined numerical on a flat plate downstream of a row of inclined different cross section area hole exit by using Computational Fluid Dynamics (CFD). The swirling motion of the film coolant was induced the twisted angle of film cooling holes, which inclined an angle of α toward the vertical direction and surface of blade turbine. The holes angle α of the impingement mainstream was changed from 90°, 65°, 45°, 30° and 20°. The film cooling effectiveness on surface of blade turbine wall was measured by using 3D Computational Fluid Dynamics (CFD). Results showed that the effectiveness of rectangular twisted hole has the effectiveness among other cross section area of the hole at blowing ratio (0.5, 1, 1.5 and 2).

Keywords: turbine blade cooling, film cooling, geometry shape of hole, turbulent flow

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Authors: Ammar Ayad Issa Al-Rifaie, Zuhreya Muazu, Maysam Ali Abdulwahid, Dermot Gleeson

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The aim of this audit was to examine the efficiency of alcohol history documentation and screening for hazardous drinkers at the Medical Admission Unit (MAU) of Northern General Hospital (NGH), Sheffield, to identify any potential for enhancing clinical practice. Data were collected from medical clerking sheets, ICE system and directly from 82 patients by three junior medical doctors using both CAGE questionnaire and AUDIT-C tool for newly admitted patients to MAU in NGH, in the period between January and March 2015. Alcohol consumption was documented in around two-third of the patient sample and this was documented fairly accurately by health care professionals. Some used subjective words such as 'social drinking' in the alcohol units’ section of the history. CAGE questionnaire was applied to only four patients and none of the patients had documented advice, education or referral to an alcohol liaison team. AUDIT-C tool had identified 30.4%, while CAGE 10.9%, of patients admitted to the NGH MAU as hazardous drinkers. The amount of alcohol the patient consumes positively correlated with the score of AUDIT-C (Pearson correlation 0.83). Re-audit is planned to be carried out after integrating AUDIT-C tool as labels in the notes and presenting a brief teaching session to junior doctors. Alcohol misuse screening is not adequately undertaken and no appropriate action is being offered to hazardous drinkers. CAGE questionnaire is poorly applied to patients and when satisfactory and adequately used has low sensitivity to detect hazardous drinkers in comparison with AUDIT-C tool. Re-audit of alcohol screening practice after introducing AUDIT-C tool in clerking sheets (as labels) is required to compare the findings and conclude the audit cycle.

Keywords: alcohol screening, AUDIT-C, CAGE, hazardous drinking

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Authors: Albatool Al Abdulwahid, Bayan Shakally, Mariam Mohamed, Wed Almokri

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Artificial intelligence has infiltrated every part of our life and every field we can think of. With technical developments, artificial intelligence applications are becoming more prevalent. We chose ELSA speak because it is a magnificent example of Artificial intelligent applications, ELSA speak is a smartphone application that is free to download on both IOS and Android smartphones. ELSA speak utilizes artificial intelligence to help non-native English speakers pronounce words and phrases similar to a native speaker, as well as enhance their English skills. It employs speech-recognition technology that aids the application to excel the pronunciation of its users. This remarkable feature distinguishes ELSA from other voice recognition algorithms and increase the efficiency of the application. This study focused on evaluating ELSA speak application, by testing the degree of effectiveness based on survey questions. The results of the questionnaire were variable. The generality of the participants strongly agreed that ELSA has helped them enhance their pronunciation skills. However, a few participants were unconfident about the application’s ability to assist them in their learning journey.

Keywords: ELSA speak application, artificial intelligence, speech-recognition technology, language learning, english pronunciation

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Authors: Khalid Ahmed Abdoun, Mohamed Abdulwahid Alsoufi, Ibrahim Abdullah Alhidary

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The intention of this study was to evaluate the effect of dietary Cr supplementation on haematological parameters in camel calves reared under hot summer conditions. Fifteen male camel calves (5 – 6 months old) were randomly allotted to three dietary treatments (n = 5) for a period of 84 days. Camel calves were fed ad libitum on basal diet without Cr supplementation (control), basal diet supplemented with 0.5 mg Cr/kg DM (Cr 0.5) or basal diet supplemented with 1.0 mg Cr/kg DM (Cr 1.0). During this, blood samples were collected every four weeks for hematological examination. The obtained results revealed that dietary Cr supplementation to camel calves reared under hot summer did not show significant effects (P> 0.05) on hematological variables. However, the neutrophil to lymphocytes ratio (N: L ratio) was significantly (P < 0.05) reduced in camel calves fed on diets supplemented with chromium. In conclusion, Chromium supplementation to the diet of camel calves did not show any significant effects on hematological variables. Whereas, the neutrophil to lymphocytes ratio (N: L ratio) was reduced in camel calves fed diets supplemented with chromium.

Keywords: camel calves, chromium, haematological, immune response

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Authors: Ahmad Tijani Surajudeen, Muhammad Zahiri Awang Mat, Aliy Abdulwahid Adebisi

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With arrival of Islam in the South-Western Nigeria in the late fifteenth and early sixteenth centuries, various masājid established in different parts of the area played vital roles towards the betterment and unity of the Muslims. However, despite the fact that the masājid in the South-Western part of Nigeria contributed immensely to the spiritual and educational enhancement of the Muslims, it has not fully captured the holistic educational roles as a unique model used by the Prophet (S.A.W). Therefore, the primary objective of this paper is to investigate and broaden the roles of masjid towards its compartmentalized and holistic contributions among the Muslims in the south-western Nigeria. The findings from the paper have identified five holistic roles of masjid, namely, spiritual, intellectual, physical, social and emotional contributions which have been exemplified in the prophetic model of masjid. The paper has argued that the five factors must be unreservedly unified towards the betterment of the Muslims and enhancement of Islamic education and Arabic Language in the South-Western Nigeria. However, the challenges of masjid management in the South-Western Nigeria are the main hindrance in achieving the holistic roles of masjid. It is thereby suggested that, the management of masjid should take the identified prophetic model of masjid into account in order to positively improve the affairs of Muslims as well as promoting the teaching and learning of Islamic education and Arabic language among the Muslims in the South-Western Nigeria.

Keywords: worship, Islamic education, Arabic language, prophetic holistic model

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Authors: Ammar Edress Mohamed, Mustafa Aziz, David Wright

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This paper analyses and calculates the head fields of asymmetrical 2D magnetic recording heads when the soft-underlayer is present using the appropriate Green's function to derive the surface potential/field by utilising the surface potential for asymmetrical head without underlayer. The results follow closely the corners, while the gap region shows a linear behaviour for d/g < 0.5 compared with the calculated fields from finite-element.

Keywords: magnetic recording, finite elements, asymmetrical magnetic heads, superposition, Laplace's equation

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Authors: Wafa Halfaoui Mbarek, Khir Tahar, Ben Brahim Ammar

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This study reports a comparison from an exergetic point of view between three configurations of vapor compression industrial refrigeration systems operating with R134a as working fluid. The performances of the different cycles are analyzed as function of several operating parameters such as condensing temperature and inter stage pressure. In addition, the contributions of component exergy destruction to the total exergy destruction are obtained for each system. The results are estimated to be used in the selection of the most advantageous configuration from an exergetic view point.

Keywords: vapor compression, exergy, destruction, efficiency, R134a

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Authors: Ammar Khader Almasri

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The software processes play a vital role for delivering a high quality software system that meets the user’s needs. There are many software development models which are used by most system developers, which can be categorized into two categories (traditional and new methodologies). Mobile applications like other desktop applications need appropriate and well-working software development process. Nevertheless, mobile applications have different features which limit their performance and efficiency like application size, mobile hardware features. Moreover, this research aims to help developers in using a standardized model for developing mobile applications.

Keywords: software development process, agile methods , moblile application development, traditional methods

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Authors: Saria Abed, Tahar Khir, Ammar Ben Brahim

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A thermo-exergy optimization of a gas turbine cycle with two different regenerator designs is established. A comparison was made between the performance of the two regenerators and their roles in improving the cycle efficiencies. The effect of operational parameters (the pressure ratio of the compressor, the ambient temperature, excess of air, geometric parameters of the regenerators, etc.) on thermal efficiencies, the exergy efficiencies, and irreversibilities were studied using thermal balances and quantitative exegetic equilibrium for each component and for the whole system. The results are given graphically by using the EES software, and an appropriate discussion and conclusion was made.

Keywords: exergy efficiency, gas turbine, heat transfer, irreversibility, optimization, regenerator, thermal efficiency

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Authors: Farhat Hajer, Khir Tahar, Ammar Ben Brahim

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This work presents a study on the influence of the main operating variables on the gas turbine cycle. A numerical simulation of a gas turbine cycle is performed for a real net power of 100 MW. A calculation code is developed using EES software. The operating variables are taken in conformity with the local environmental conditions adopted by the Tunisian Society of Electricity and Gas. Results show that the increase of ambient temperature leads to an increase of Tpz and NO_x emissions rate and a decrease of cycle efficiency and UHC emissions. The CO emissions decrease with the raise of residence time, while NO_x emissions rate increases and UHC emissions rate decreases. Furthermore, both of cycle efficiency and NOx emissions increase with the increase of the pressure ratio.

Keywords: Carbon monoxide, Efficiency, Emissions, Gas Turbine, Nox, UHC

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Authors: Chettou Souhaila, Soufi Omar, Roumia Mohammed Ammar

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Protecting the environment is to preserve the survival and future of humanity. Indeed, the environment is our source of food and drinking water, the air is our source of oxygen, the climate allows our survival and biodiversity are a potential drug reservoir. Preserving the environment is, therefore, a matter of survival. The objective of this project is to familiarize the general public with environmental problems not only with the theme of environmental protection, but also with the concept of biodiversity in different ecosystems. For it, the aim of our project was to create the Ecorium which is a place that preserves many species of plants of different ecosystems, schools, malls, buildings, offices, ecological transports, gardens, and many familial activities that participated in the ecosystems development, strategic biodiversity and sustainable development.

Keywords: ecological system, ecorium, environment, sustainable development

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Authors: Farhat Hajer, Khir Tahar, Cherni Rafik, Dakhli Radhouen, Ammar Ben Brahim

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This paper presents the energy and exergy optimization of a real gas turbine power plant performance of 100 MW of power, installed in the South East of Tunisia. A simulation code is established using the EES (Engineering Equation Solver) software. The parameters considered are those of the actual operating conditions of the gas turbine thermal power station under study. The results show that thermal and exergetic efficiency decreases with the increase of the ambient temperature. Air excess has an important effect on the thermal efficiency. The emission of NOx rises in the summer and decreases in the winter. The obtained rates of NOx are compared with measurements results.

Keywords: efficiency, exergy, gas turbine, temperature

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Authors: Ammar Nimer Natsheh

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Chaos control is used to design a controller that is able to eliminate the chaotic behaviour of nonlinear dynamic systems that experience such phenomena. The paper describes the control of the bifurcation behaviour of a parallel-connected DC-DC buck-boost converter used to provide an interface between energy storage batteries and photovoltaic (PV) arrays as renewable energy sources. The paper presents a delayed feedback control scheme in a module converter comprises two identical buck-boost circuits and operates in the continuous-current conduction mode (CCM). MATLAB/SIMULINK simulation results show the effectiveness and robustness of the scheme.

Keywords: chaos, bifurcation, DC-DC Buck-Boost Converter, Delayed Feedback Control

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Authors: Ishak Hashim, Ammar Alsabery

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The problem of conjugate free convection in a square cavity filled with nanofluid and heated from below by spatial wall temperature is studied numerically using the finite difference method. Water-based nanofluid with copper nanoparticles are chosen for the investigation. Governing equations are solved over a wide range of nanoparticle volume fraction (0 ≤ φ ≤ 0.2), wave number ((0 ≤ λ ≤ 4) and thermal conductivity ratio (0.44 ≤ Kr ≤ 6). The results presented for values of the governing parameters in terms of streamlines, isotherms and average Nusselt number. It is found that the flow behavior and the heat distribution are clearly enhanced with the increment of the non-uniform heating.

Keywords: conjugate free convection, square cavity, nanofluid, spatial temperature

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Authors: Ammar Z. Alshemary, Yi-Fan Goh, Rafaqat Hussain

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Magnesium (Mg2+), strontium (Sr2+) and sulphate ions (SO42-) were successfully substituted into hydroxyapatite (Ca10-x-y MgxSry(PO4)6-z(SO4)zOH2-z) structure through ion exchange process at cationic and anionic sites. Mg2+and Sr2+ ions concentrations were varied between (0.00-0.10), keeping concentration of SO42- ions at z=0.05. [Mg (NO3)2], [Sr (NO3)2] and (Na2SO4) were used as Mg2+, Sr2+, and SO42- sources respectively. The synthesized white precipitate were subjected to heat treatment at 500ºC and finally characterized by X-ray diffraction (XRD) and Fourier Transform infra-red spectroscopy (FTIR). The results showed that the substitution of Mg2+, Sr2+ and SO42- ions into the HA lattice resulted in an increase in the broadness and reduction of XRD peaks. This confirmed that the crystallinity was reduced due to the substitution of ions. Similarly, FTIR result showed the effect of substitution on phosphate bands as well as exchange of hydroxyl group by SO42- ions to balance the charges on HA surface.

Keywords: hydroxyapatite, substitution, characterization, XRD, FTIR

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Authors: Ammar Z. Alwrekiat, Sara Ojeda Gonzalez, Maria Jose Miranda Martel, Antonio Mihi-Ramirez

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This paper analyses the economic situation in Jordan, which has been the political asylum destination for Syrians since 2011. We analyze the effects of the Jordanian situation through the following indicators: international aid, gross domestic product, remittances, and unemployment. A correlation analysis has been used to identify the main connections of these parameters with the reception of refugees. Although the economic effects of Syrian refugees in Jordan are uncertain, it involves an important challenge in the development of migration policies. Jordan has a special economic situation and limited capacities, but the country has provided humanitarian assistance to Syrian refugees. In this case, the support of the international community is of particular importance, taking an important role in the negotiation of international agreements on refugees.

Keywords: correlation analysis, economic implications, migration, refugees

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Authors: Ammar Alrefaei

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Sporting directors in football clubs plays a prominent and important role in managing and controlling many issues related to the affairs of professional players. In view of this great importance of the role of the sporting directors, the Saudi regulation of the professional players and their transfers took over the organization and control of many aspects related to the conditions that must be met by the sporting director and the obligations that fall on his responsibility with the sport club or the Saudi Football Association. However, this regulation does not avoid ambiguity at times and shortcomings at other times in many places, as some of the texts contained in regulation raise many questions, some of which point out to the need to find more comprehensive and accurate treatment than those in the current regulations, accordingly this study comes to shed light on the aspects related to the sporting directors in sport clubs and the development of provisions.

Keywords: professional contract, sporting directors, professional player, labor law

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Authors: Ammar Maziz, Mostapha Tarfaoui, Said Rechak

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The high mechanical performance of composite pipes can be adversely affected by their low resistance to impact loads. Loads in dynamic origin are dangerous and cause consequences on the operation of pipes because the damage is often not detected and can affect the structural integrity of composite pipes. In this work, an advanced 3-D finite element (FE) model, based on the use of intralaminar damage models was developed and used to predict damage under low-velocity impact. The performance of the numerical model is validated with the confrontation with the results of experimental tests. The results show that at low impact energy, the damage happens mainly by matrix cracking and delamination. The model capabilities to simulate the low-velocity impact events on the full-scale composite structures were proved.

Keywords: composite materials, low velocity impact, FEA, dynamic behavior, progressive damage modeling

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Authors: Abdi Ammar, Ouazir Youcef, Laissaoui Abdelmalek

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In this work, an approach based on transmission lines theory is presented. It is exploited for the calculation of overvoltage created by direct impacts of lightning waves on a guard cable of an overhead high-voltage line. First, we show the theoretical developments leading to the propagation equation, its discretization by finite difference time domain method (FDTD), and the resulting linear algebraic equations, followed by the calculation of the linear parameters of the line. The second step consists of solving the transmission lines system of equations by the FDTD method. This enabled us to determine the spatio-temporal evolution of the induced overvoltage.

Keywords: lightning surge, transient overvoltage, eddy current, FDTD, electromagnetic compatibility, ground wire

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Authors: Muhammad Ammar, Talha Ali, Abdul Basit, Bakhtawar Rajput, Zobia Sohail

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Music note detection is an area of study for the past few years and has its own influence in music file generation from sheet music. We proposed a method to detect music notes on sheet music using basic thresholding and blob detection. Subsequently, we created a notes dictionary using a semi-supervised learning approach. After notes detection, for each test image, the new symbols are added to the dictionary. This makes the notes detection semi-automatic. The experiments are done on images from a dataset and also on the captured images. The developed approach showed almost 100% accuracy on the dataset images, whereas varying results have been seen on captured images.

Keywords: music note, sheet music, optical music recognition, blob detection, thresholding, dictionary generation

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Authors: Nouha Khediri, Mohammed Ben Ammar, Monji Kherallah

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Recently, facial emotion recognition (FER) has become increasingly essential to understand the state of the human mind. Accurately classifying emotion from the face is a challenging task. In this paper, we present a facial emotion recognition approach named CV-FER, benefiting from deep learning, especially CNN and VGG16. First, the data is pre-processed with data cleaning and data rotation. Then, we augment the data and proceed to our FER model, which contains five convolutions layers and five pooling layers. Finally, a softmax classifier is used in the output layer to recognize emotions. Based on the above contents, this paper reviews the works of facial emotion recognition based on deep learning. Experiments show that our model outperforms the other methods using the same FER2013 database and yields a recognition rate of 92%. We also put forward some suggestions for future work.

Keywords: CNN, deep-learning, facial emotion recognition, machine learning

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Authors: K. Khelil, H. Ammar, K. Saouchi

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Fiber Bragg Grating (FBG) structure is an periodically modulated optical fiber. It acts as a selective filter of wavelength whose reflected peak is called Bragg wavelength and it depends on the period of the fiber and the refractive index. The simulation of FBG is based on solving the Coupled Mode Theory equation by using the Transfer Matrix Method which is carried out using MATLAB. It is found that spectral reflectivity is shifted when the change of temperature and strain is uniform. Under non-uniform temperature or strain perturbation, the spectrum is both shifted and destroyed. In case of transverse loading, reflectivity spectrum is split into two peaks, the first is specific to X axis, and the second belongs to Y axis. FBGs are used in civil engineering to detect perturbations applied to buildings.

Keywords: Bragg wavelength, coupled mode theory, optical fiber, temperature measurement

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Authors: Abir Hmida, Nihel Chekir, Ammar Ben Brahim

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In the present paper, we investigate the feasibility of a thermal solar driven cold room in Gabes, southern region of Tunisia. The cold room of 109 m³ is refrigerated using an ammonia absorption machine. It is destined to preserve dates during the hot months of the year. A detailed study of the cold room leads previously to the estimation of the cooling load of the proposed storage room in the operating conditions of the region. The next step consists of the estimation of the required heat in the generator of the absorption machine to ensure the desired cold temperature. A thermodynamic analysis was accomplished and complete description of the system is determined. We propose, here, to provide the needed heat thermally from the sun by using vacuum tube collectors. We found that at least 21m² of solar collectors are necessary to accomplish the work of the solar cold room.

Keywords: absorption, ammonia, cold room, solar collector, vacuum tube

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Authors: Ridha Fethi Mechlouch, Ahlem Ayadi, Ammar Ben Brahim

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Given the importance of the preservation of polyphenols and carotenoids during thermal processing, we attempted in this study to investigate the variation of these two parameters in faba beans during microwave treatment using different power densities (1; 2; and 3W/g), then to perform a mathematical modeling by using non-linear regression analysis to evaluate the models constants. The variation of the carotenoids and polyphenols ratio of faba beans and the models are tested to validate the experimental results. Exponential models were found to be suitable to describe the variation of caratenoid ratio (R²= 0.945, 0.927 and 0.946) for power densities (1; 2; and 3W/g) respectively, and polyphenol ratio (R²= 0.931, 0.989 and 0.982) for power densities (1; 2; and 3W/g) respectively. The effect of microwave power density Pd(W/g) on the coefficient k of models were also investigated. The coefficient is highly correlated (R² = 1) and can be expressed as a polynomial function.

Keywords: microwave treatment, power density, carotenoid, polyphenol, modeling

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Authors: Shafqat Ullah Khan, Ammar Nasir

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Using planar antenna array (PAA) in radars, Broadcasting, satellite antennas, and sonar for the detection of targets, Helps provide instant beam pattern control. High flexibility and Adaptability are achieved by multiple beam steering by using a Planar array and are particularly needed in real-life Sanrio’s where the need arises for several high-directivity beams. Faulty sensors in planar arrays generate asymmetry, which leads to service degradation, radiation pattern distortion, and increased levels of sidelobe. The POA, a nature-inspired optimization algorithm, accurately determines faulty sensors within an array, enhancing the reliability and performance of planar array antennas through extensive simulations and experiments. The analysis was done for different types of faults in 7 x 7 and 8 x 8 planar arrays in MATLAB.

Keywords: Planar antenna array, , Pelican optimisation Algorithm, , Faculty sensor, Antenna arrays

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Authors: N. M. M. Ammar, S. M. Mustaqim, N. M. Nadzir

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The most important problem occurs on oil spills in sea water is to reduce the oil spills size. This study deals with the development of high pressurized nozzle using dispersion method for oil leakage in offshore. 3D numerical simulation results were obtained using ANSYS Fluent 13.0 code and correlate with the experimental data for validation. This paper studies the contribution of the process on flow speed and pressure of the flow from two different geometrical designs of nozzles and to generate a spray pattern suitable for dispersant application. Factor of size distribution of droplets generated by the nozzle is calculated using pressures ranging from 2 to 6 bars. Results obtain from both analyses shows a significant spray pattern and flow distribution as well as distance. Results also show a significant contribution on the effect of oil leakage in terms of the diameter of the oil spills break up.

Keywords: arc nozzle, CFD simulation, droplets, oil spills

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Authors: Nadhir Al-Ansari, Ammar A. Ali, Sven Knutsson

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Iraq is located in the Middle East. It covers an area of 433,970 square kilometres populated by about 32 million inhabitants. Iraq greatly relies in its water resources on the Tigris and Euphrates Rivers. Recently, Iraq is suffering from water shortage problems. This is due to external and internal factors. The former includes global warming and water resources policies of neighbouring countries while the latter includes mismanagement of its water resources. The supply and demand are predicted to be 43 and 66.8 Billion Cubic Meters (BCM) respectively in 2015, while in 2025 it will be 17.61 and 77 BCM respectively. In addition, future prediction suggests that Tigris and Euphrates Rivers will be completely dry in 2040. To overcome this problem, prudent water management policies are to be adopted. This includes Strategic Water Management Vision, development of irrigation techniques, reduction of water losses, use of non-conventional water resources and research and development planning.

Keywords: Iraq, Tigris River, Euphrates River, water scarcity, water resources management

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Authors: Ammar Alrefaei

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The COVID-19 pandemic changed human life. The vast majority of the COVID effect was on the healthcare sector, but its impact on the global economy cannot be denied. In the field of environment, the pandemic may have a more significant impact on the environment than all environmental activity and policies of recent years. The pandemic consequences for the environment may be far more unpredictable than one might assume. In view of this, it is imperative for legislators from different states to be prepared to apply adequate measures to counteract such consequences. This article aimed to examine the obstacles to implementing effective environmental policies after the COVID-19 pandemic using different examples from different countries. Also, how adopting new initiatives, such as the Saudi Green Initiative and the Middle East Green Initiative, can help policymakers and legislators adopt new laws and policies. In addition, this paper reviewed the developing dangers to environmental protection after the pandemic and analyzed the major challenges to instrument active environmental policies during COVID-19 and in the world after COVID.

Keywords: environmental policy, environment law, green initiative, COVID 19

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Authors: Ammar Ouahab, Meriem Houichi , Sanna Mihoubi

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Background: Nigella sativa is an annual flowering plant, belongs to the Ranunculaceae family. It has many pharmacological activities such as anti-inflammatory; anti-bacterial; anti-hepatotoxic activities etc. Materials: In order to predict the pharmacological activity of Nigella Sativa’s compounds, some web based servers were used, namely, PubChem, Molinspiration, ADMET-SAR, PASS online and PharMapper. In addition to that, AutoDOCK was used to investigate the different molecular interactions between the selected compounds and their target proteins. Results: All compounds displayed a stable interaction with their targets and satisfactory binding energies, which means that they are active on their targets. Conclusion: Nigella sativa is an effective medicinal plant that has several ethno-medical uses; the latter uses are proven herein via an in-silico study of their pharmacological activities.

Keywords: Nigella sativa, AutoDOCK, PubChem, Molinspiration, ADMET-SAR, PharMapper, PASS online server, docking

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Authors: Ammar Benamrani

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This work investigates the equation of state parameters, elastic constants, and several other physical properties of (B2-type) Yttrium-Copper (YCu) rare earth intermetallic compound using the projected augmented wave (PAW) pseudopotentials method as implemented in the Quantum Espresso code. Using both the local density approximation (LDA) and the generalized gradient approximation (GGA), the finding of this research on the lattice parameter of YCu intermetallic compound agree very well with the experimental ones. The obtained results of the elastic constants and the Debye temperature are also in general in good agreement compared to the theoretical ones reported previously in literature. Furthermore, several thermodynamic properties of YCu intermetallic compound have been studied using quasi-harmonic approximations (QHA). The calculated data on the thermodynamic properties shows that the free energy and both isothermal and adiabatic bulk moduli decrease gradually with increasing of the temperature, while all other thermodynamic quantities increase with the temperature.

Keywords: Yttrium-Copper intermetallic compound, thermo_pw package, elastic constants, thermodynamic properties

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