Search results for: Ammar Aljabri

Authors: Ammar Aljabri, Alhussain Halawani, Alaa Ashqar, Omar Alageely

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Objective: mild Traumatic Brain Injury (mTBI) or concussion is a common yet undermanaged and underreported condition. This systematic review and meta-analysis aim to determine the efficacy of VRT as a treatment option for mTBI. Method: This review and meta-analysis was performed following the PRISMA (Preferred Reporting Items for Systematic Reviews and Meta-Analyses) guidelines and included RCTs and pre-VRT/post-VRT retrospective chart reviews. Records meeting the inclusion criteria were extracted from the following databases: Medline, Embase, and Cochrane Register of Controlled Trials (CENTRAL). Results: Eight articles met the inclusion criteria, and six RCTs were included in the meta-analysis. VRT demonstrated significant improvement in decreasing perceived dizziness at the end of the intervention program, as shown by DHI scores (SMD= -0.33, 95% CI -0.62 to -0.03, p=0.03, I2= 0%). However, no significant reduction in DHI was evident after two months of follow-up (SMD= 0.15, 95% CI -0.23 to 0.52, p=0.44, I2=0%). Quantitative analysis also depicts significant reduction in both VOMS (SMD=-0.40, 95% CI -0.60 to -0.20, p<0.0001, I2=0%) and PCSS (SMD= -0.39, 95% CI -0.71 to -0.07, p=0.02, I2=0%) following the intervention. Lastly, there was no significant difference between intervention groups on BESS scores (SMD= -31, 95% CI -0.71 to 0.10, p=0.14, I2=0%) and return to sport/function (95% CI 0.32 to 30.80, p=0.32, I2=82%). Conclusions: Current evidence on the efficacy of VRT for mTBI is limited. This review and analysis provide evidence that supports the role of VRT in improving perceived symptoms following concussion. There is still a need for high-quality trials evaluating the benefit of VRT using a standardized approach.

Keywords: concussion, traumatic brain injury, vestibular rehabilitation, neurorehabilitation

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Authors: Hamad Almohamadi, Nabeel H. Alharthi, Abdulrahman Aljabri

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In this study, two-dimensional CuFeOx is deposited on nickel foam for the fabrication of electrocatalyst for oxygen evolution reaction (OER). The in-situ hydrothermal synthesis of CuFeOx in presence of aloe vera extract was found to yield unique nano-rose-like morphology which aided to improve the electrochemical surface area of the electrode. The phytochemical assisted synthesis of CuFeOx using 75% aloe vera extract resulted in improved OER electrocatalytic performance by attaining the overpotential of 310 mV for 50 mA cm−2 and 410 mV for 100 mA cm−2. The electrode also sustained robust stability throughout the 50 h of chronopotentiometry studies under alkaline electrolyte conditions, thus proving to be prospective electrode material for efficient OER in electrochemical water splitting.

Keywords: water splitting, phytochemicals, oxygen evaluation reaction, Tafel's slope, stability

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Authors: Z. Y. Jiang, H. B. Tibar, A. Aljabri

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Optimisation of the physical and mechanical properties of cold rolled thin strips is achieved by controlling the rolling parameters. In this paper, the factors affecting the asymmetrical cold rolling of thin low carbon steel strip have been studied at a speed ratio of 1.1 without lubricant applied. The effect of rolling parameters on the resulting microstructure was also investigated. It was found that under dry condition, work roll shifting and work roll cross angle can improve the strip profile, and the result is more significant with an increase of work roll cross angle rather than that of work roll shifting. However, there was no obvious change in microstructure. In addition, effects of rolling parameters on strip profile and microstructure have also been discussed.

Keywords: rolling speed ratio, microstructure, work roll cross angle, work roll shifting

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Authors: Abdulrahman Aljabri, Essam R. I. Mahmoud, Hamad Almohamedi, Zhengyi Jiang

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Cold rolled thin strip has received intensive attention through technological and theoretical progress in the rolling process, as well as researchers have focused on its control during rolling as an essential parameter for producing thinner strip with good shape and profile. An advanced approach has been proposed to analysis the thin strip profile in cold rolling of pair roll crossing and shifting mill using Finite Element Analysis (FEA) with an ALE technique. The ALE (Arbitrary Lagrangian-Eulerian) techniques to enable more flexibility of the ALE technique in the adjustment of the finite element mesh, which provides a significant tool for simulating the thin strip under realistic rolling process constraint and provide accurate model results. The FEA can provide theoretical basis for the 3D model of controlling the strip shape and profile in thin strip rolling, and deliver an optimal rolling process parameter, and suggest corrective changes during cold rolling of thin strip.

Keywords: pair roll crossing, work roll shifting, strip shape and profile, finite element modeling

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Authors: Yaser Meeralam, Walaa Alharthi, Hadeel Ashi, Alaa Bakhsh, Kholood Aljabri, Ebtihal Bin Salim

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Background:Basidiobolusranrum causes one of the rare fungal diseases that infects mainly immunocompetent individuals. Gastrointestinal Basidiobolomycosis (GIB) is a rare and uncommon form of this fungal infection. It’s still ambiguous how this fungus is reaching the gastrointestinal tract leading to Gastrointestinal Basidiobolomycosis. Objective: To summarize the clinical features, imaging, and histopathological of patients diagnosed with GIB in our institution. Patients and methods: A series of five cases of patients who diagnosed by basidiobolomycosis in King Abdullah Medical City, Makkah, Saudi Arabia, which reviewed by latest literature related to diagnosis and treatment. Results: Most of the patients were externally evaluated and were initially misdiagnosed. Some of them were suspected of colonic malignancy, other presumed to have hepatic hemangioma and fistulizing crohn’s disease. The definitive diagnosis is often based on histopathological examination and fungal culture of the surgically resected mass. An optimum standardized treatment of basidiobolomycosis has not yet been established. Conclusion: Deeper knowledge of clinical characteristics, diagnosis, and treatment of basidiobolomycosis will allow early initiating of treatment with a subsequent positive impact on the patients’ outcome. More studies are needed to establish a definite treatment.

Keywords: gastrointestinal infection, crohn's mimics, malignancy mimics, fungal infection

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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: Hammam Aljabri, Hong G. Im

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Hydrogen is a promising future fuel to support the transition of the energy sector toward carbon neutrality. The direct utilization of H2 in Internal Combustion Engines (ICEs) is possible, and this technology faces mainly two challenges; high NOx emissions and severe knocking at mid to high loads. In this study, we numerically investigated the potential of H2 combustion in a truck-size engine operated in SI mode. To mitigate the knocking nature of H2 combustion, we have focused on studying the effects of three primary parameters; the compression ratio (CR), the air-fuel ratio, and the spark time. The baseline case was set using a CR of 16.5 and an equivalence ratio of 0.35. In simulations, the auto-ignition tendency was evaluated based on the maximum pressure rise rate and the local pressure fluctuations at the monitoring points set along the wall of the combustion chamber. To mitigate the auto-ignition tendency while enabling a wider range of engine operation, the effect of lowering the compression ratio was assessed. The results indicate that by lowering the compression ratio from 16.5:1 to 12.5:1, an indicated thermal efficiency of 47.5% can be achieved. Aiming to restrain the auto-ignition while maintaining good efficiency, a reduction in the equivalence ratio was examined under different compression ratios. The result indicates that higher compression ratios will require lower equivalence ratios, and due to practical limitations, a lower equivalence ratio of 0.25 was set as the limit. Using a compression ratio of 13.5 combined with an equivalence ratio of 0.3 resulted in an indicated thermal efficiency of 48.6%, that is, at a fixed spark time. It is found that under such lean conditions, the incomplete combustion losses and exhaust losses were high. Thus, advancing the spark time was assessed as a possible solution. The results demonstrated the advantages of advancing the spark time, where an indicated thermal efficiency exceeding 50% was achieved using a compression ratio of 14.5:1 and an equivalence ratio of 0.25.

Keywords: hydrogen, combustion, engine knock, SI engine

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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: 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

Abstract:

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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