Search results for: Nasser Talebbeydokhti

Authors: Yousra M. Zakaria Helmy, Edward H. Smith

Abstract:

Lake Nasser is one of the largest reservoirs in the world. Over 120 million metric tons of sediments are deposited in its dead storage zone every year. The main objective of the present work was to determine the physical and chemical characteristics of Lake Nasser sediments. The sample had a relatively low surface area of 2.9 m2/g which increased more than 3-fold upon chemical activation. The main chemical elements of the raw sediments were C, O and Si with some traces of Al, Fe and Ca. The organic functional groups for the tested sample included O-H, C=C, C-H and C-O, with indications of Si-O and other metal-C and/or metal-O bonds normally associated with clayey materials. Potentiometric titration of the sample in different ionic strength backgrounds revealed an alkaline material with very strong positive surface charge at pH values just a little less than the pH of zero charge which is ~9. Surface interactions of the sediments with the background electrolyte were significant. An advanced surface complexation model was able to capture these effects, employing a single-site approach to represent protolysis reactions in aqueous solution, and to determine the significant surface species in the pH range of environmental interest.

Keywords: Lake Nasser, sediments, surface characterization

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Authors: Nahid Hassanshahi, Ayoub Karimi-Jashni, Nasser Talebbeydokhti

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Due to the economic and environmental benefits of producing less waste, the US Environmental Protection Agency (EPA) introduces source reduction as one of the most important means to deal with the problems caused by increased landfills and pollution. Waste reduction involves all waste management methods, including source reduction, recycling, and composting, which reduce waste flow to landfills or other disposal facilities. Source reduction of waste can be studied from two perspectives: avoiding waste production, or reducing per capita waste production, and waste deviation that indicates the reduction of waste transfer to landfills. The present paper has investigated home composting as a managerial solution for reduction of waste transfer to landfills. Home composting has many benefits. The use of household waste for the production of compost will result in a much smaller amount of waste being sent to landfills, which in turn will reduce the costs of waste collection, transportation and burial. Reducing the volume of waste for disposal and using them for the production of compost and plant fertilizer might help to recycle the material in a shorter time and to use them effectively in order to preserve the environment and reduce contamination. Producing compost in a home-based manner requires very small piece of land for preparation and recycling compared with other methods. The final product of home-made compost is valuable and helps to grow crops and garden plants. It is also used for modifying the soil structure and maintaining its moisture. The food that is transferred to landfills will spoil and produce leachate after a while. It will also release methane and greenhouse gases. But, composting these materials at home is the best way to manage degradable materials, use them efficiently and reduce environmental pollution. Studies have shown that the benefits of the sale of produced compost and the reduced costs of collecting, transporting, and burying waste can well be responsive to the costs of purchasing home compost machine and the cost of related trainings. Moreover, the process of producing home compost may be profitable within 4 to 5 years and as a result, it will have a major role in reducing waste management.

Keywords: Compost, home compost, reducing waste, waste management.

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Authors: S. Mehrab Amiri, Nasser Talebbeydokhti

Abstract:

Modeling sediment transport processes by means of numerical approach often poses severe challenges. In this way, a number of techniques have been suggested to solve flow and sediment equations in decoupled, semi-coupled or fully coupled forms. Furthermore, in order to capture flow discontinuities, a number of techniques, like artificial viscosity and shock fitting, have been proposed for solving these equations which are mostly required careful calibration processes. In this research, a numerical scheme for solving shallow water and Exner equations in fully coupled form is presented. First-Order Centered scheme is applied for producing required numerical fluxes and the reconstruction process is carried out toward using Monotonic Upstream Scheme for Conservation Laws to achieve a high order scheme.  In order to satisfy C-property of the scheme in presence of bed topography, Surface Gradient Method is proposed. Combining the presented scheme with fourth order Runge-Kutta algorithm for time integration yields a competent numerical scheme. In addition, to handle non-prismatic channels problems, Cartesian Cut Cell Method is employed. A trained Multi-Layer Perceptron Artificial Neural Network which is of Feed Forward Back Propagation (FFBP) type estimates sediment flow discharge in the model rather than usual empirical formulas. Hydrodynamic part of the model is tested for showing its capability in simulation of flow discontinuities, transcritical flows, wetting/drying conditions and non-prismatic channel flows. In this end, dam-break flow onto a locally non-prismatic converging-diverging channel with initially dry bed conditions is modeled. The morphodynamic part of the model is verified simulating dam break on a dry movable bed and bed level variations in an alluvial junction. The results show that the model is capable in capturing the flow discontinuities, solving wetting/drying problems even in non-prismatic channels and presenting proper results for movable bed situations. It can also be deducted that applying Artificial Neural Network, instead of common empirical formulas for estimating sediment flow discharge, leads to more accurate results.

Keywords: Artificial neural network, morphodynamic model, sediment continuity equation, shallow water equations.

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Authors: R. Rajabpour, N. Talebbeydokhti, M. H. Ahmadi

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In recent years, new techniques for solving complex problems in engineering are proposed. One of these techniques is JPSO algorithm. With innovative changes in the nature of the jump algorithm JPSO, it is possible to construct a graph-based solution with a new algorithm called G-JPSO. In this paper, a new algorithm to solve the optimal control problem Fletcher-Powell and optimal control of pumps in water distribution network was evaluated. Optimal control of pumps comprise of optimum timetable operation (status on and off) for each of the pumps at the desired time interval. Maximum number of status on and off for each pumps imposed to the objective function as another constraint. To determine the optimal operation of pumps, a model-based optimization-simulation algorithm was developed based on G-JPSO and JPSO algorithms. The proposed algorithm results were compared well with the ant colony algorithm, genetic and JPSO results. This shows the robustness of proposed algorithm in finding near optimum solutions with reasonable computational cost.

Keywords: G-JPSO, operation, optimization, pumping station, water distribution networks.

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Authors: R. Rajabpour, N. Talebbeydokhti, M. H. Ahmadi

Abstract:

Carefully scheduling the operations of pumps can be resulted to significant energy savings. Schedules can be defined either implicit, in terms of other elements of the network such as tank levels, or explicit by specifying the time during which each pump is on/off. In this study, two new explicit representations based on timecontrolled triggers were analyzed, where the maximum number of pump switches was established beforehand, and the schedule may contain fewer switches than the maximum. The optimal operation of pumping stations was determined using a Jumping Particle Swarm Optimization (JPSO) algorithm to achieve the minimum energy cost. The model integrates JPSO optimizer and EPANET hydraulic network solver. The optimal pump operation schedule of VanZyl water distribution system was determined using the proposed model and compared with those from Genetic and Ant Colony algorithms. The results indicate that the proposed model utilizing the JPSO algorithm is a versatile management model for the operation of realworld water distribution system.

Keywords: JPSO, operation, optimization, water distribution system.

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Authors: A. A. Hekmatzadeh, A. Karimi-Jashani, N. Talebbeydokhti

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The rate of nitrate adsorption by a nitrate selective ion exchange resin was investigated in a well-stirred batch experiments. The kinetic experimental data were simulated with diffusion models including external mass transfer, particle diffusion and chemical adsorption. Particle pore volume diffusion and particle surface diffusion were taken into consideration separately and simultaneously in the modeling. The model equations were solved numerically using the Crank-Nicholson scheme. An optimization technique was employed to optimize the model parameters. All nitrate concentration decay data were well described with the all diffusion models. The results indicated that the kinetic process is initially controlled by external mass transfer and then by particle diffusion. The external mass transfer coefficient and the coefficients of pore volume diffusion and surface diffusion in all experiments were close to each other with the average value of 8.3×10-3 cm/S for external mass transfer coefficient. In addition, the models are more sensitive to the mass transfer coefficient in comparison with particle diffusion. Moreover, it seems that surface diffusion is the dominant particle diffusion in comparison with pore volume diffusion.

Keywords: External mass transfer, pore volume diffusion, surface diffusion, mass action law isotherm.

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Authors: Nasser Ghassembaglou, Armin Rahmatfam, Faramarz Ranjbar

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Using cold EGR method with variable venturi and turbocharger has a very significant effect on reduction of NOX and grime simultaneously. EGR cooler is one of the most important parts in the cold EGR circuit. In this paper optimum design of cooler for working in different percentages of EGR and for determining optimum temperature of exhausted gases, growth of efficiency, reduction of weight, dimension, expenditures, sediment and also optimum performance by using gasoil which has significant amounts of brimstone are investigated and optimized.

Keywords: Cold EGR, NOX, Cooler.

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Authors: Salam K Al-Dawery, Mustafa S Nasser

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The effect of polyelectrolytes; cationic and anionic charges and coagulants have been investigated for fresh activated sludge at different concentrations and pH values in a comparative fashion. The results from the experiments indicate that the cationic polyelectrolytes have a significant effluence on the sludge characteristic, degree of flocculation and water quality such as turbidity and SVI. The results show that the cationic CPAM-80 is the most effective polyelectrolyte used corresponding to turbidity and SVI despite of the variations in feed properties of the fresh activated sludge.

Keywords: Coagulant, Polyelectrolyte, Settling volume index, Turbidity.

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Authors: Nasser Ghassembaglou, Abdullah Bolek, Oktay Yilmaz, Ertan Oznergiz, Hikmet Kocabas, Safak Yilmaz

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Different designs of attenuator systems have been studied in this research; new analysis have been done on existed designs considering fibers effect on air flow; it was comprehended that, at fibers presence, there is an air flow which agglomerates fibers as a negative effect. So some new representations have been designed and CFD analysis has been done on them. Afterwards, one of these representations selected as the most optimum and effective design which is brought in this paper.

Keywords: Attenuator, CFD, nanofiber, spun-bond.

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Authors: Mahboobe Zardosht, Nasser Ghasem-Aghaee

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We propose an enhanced collaborative filtering method using Hofstede-s cultural dimensions, calculated for 111 countries. We employ 4 of these dimensions, which are correlated to the costumers- buying behavior, in order to detect users- preferences for items. In addition, several advantages of this method demonstrated for data sparseness and cold-start users, which are important challenges in collaborative filtering. We present experiments using a real dataset, Book Crossing Dataset. Experimental results shows that the proposed algorithm provide significant advantages in terms of improving recommendation quality.

Keywords: Collaborative filtering, Cross-cultural, E-commerce, Recommender systems

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Authors: Farouq Twaiq, Ishaq Al-Anbari, Mustafa Nasser

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The kinetics of palm oil catalytic cracking over aluminum containing mesoporous silica Al-MCM-41 (5% Al) was investigated in a batch autoclave reactor at the temperatures range of 573 – 673 K. The catalyst was prepared by using sol-gel technique and has been characterized by nitrogen adsorption and x-ray diffraction methods. Surface area of 1276 m2/g with average pore diameter of 2.54 nm and pore volume of 0.811 cm3/g was obtained. The experimental catalytic cracking runs were conducted using 50 g of oil and 1 g of catalyst. The reaction pressure was recorded at different time intervals and the data were analyzed using Levenberg- Marquardt (LM) algorithm using polymath software. The results show that the reaction order was found to be -1.5 and activation energy of 3200 J/gmol.

Keywords: Batch Reactor, Catalytic Cracking, Kinetics, Palm Oil.

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Authors: Farouq Twaiq, Mustafa Nasser, Siham Al-Hajri, Mansoor Al-Hasani

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Adsorption of methanol and ethanol over mesoporous siliceous material are studied in the current paper. The pure mesoporous silica is prepared using tetraethylorthosilicate (TEOS) as silica source and dodecylamine as template at low pH. The prepared material was characterized using nitrogen adsorption,nX-ray diffraction (XRD) and scanning electron microscopy (SEM). The adsorption kinetics of methanol and ethanol from aqueous solution were studied over the prepared mesoporous silica material. The percent removal of alcohol was calculated per unit mass of adsorbent used. The 1st order model is found to be in agreement with both adsorbates while the 2nd order model fit the adsorption of methanol only.

Keywords: Adsorption, Kinetics, Mesoprous silica, Methanol

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Authors: H. Al-Khalaifa, A. Al-Nasser

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The viewpoint towards the use of drugs or vaccines against avian parasitic diseases is one of the most striking challenges in avian medical parasitology. This includes many difficulties associated with drug resistance and in developing prophylactic vaccines. In many instances, the potential success of a vaccination in controlling parasitic diseases in poultry is well-documented. However, some medical, technical and financial limitations are still paramount. On the other hand, chemotherapy is not very well-recommended due to a number of medical limitations. But in the absence of an effective vaccine, drugs are used against parasitic diseases. This paper sheds light on some the advantages and disadvantages of using vaccination and drugs in controlling parasitic diseases in poultry species. The usage of chemotherapeutic drugs is discussed with some examples. Then, more light will be shed on using vaccines as a potentially effective and promising control tool.

Keywords: Drugs, parasitology, poultry, vaccines.

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Authors: Nasser Alalwan, Ahmed Alzahrani, Mohamed Sarrab

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The technology usages of high speed Internet leads to establish and start new era of online education. With the advancement of the information technology and communication systems new opportunities have been created. This leads universities to have various online education channels to meet the demand of different learners- needs. One of these channels is M-learning, which can be used to improve the online education environment. With using such mobile technology in learning both students and instructors can easily access educational courses anytime from anywhere. The paper first presents literature about mobile learning and to what extent this approach can be utilized to enhance the overall learning system. It provides a comparison between mobile learning and traditional elearning showing the wide array of benefits of the new generation of technology. The possible challenges and potential advantages of Mlearning in the online education system are also discussed.

Keywords: Mobile learning, M-learning, eLearning, Educational system.

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Authors: Gamal Abd El-Nasser A. Said, El-Sayed M. El-Horbaty

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Container handling problems at container terminals are NP-hard problems. This paper presents an approach using discrete-event simulation modeling to optimize solution for storage space allocation problem, taking into account all various interrelated container terminal handling activities. The proposed approach is applied on a real case study data of container terminal at Alexandria port. The computational results show the effectiveness of the proposed model for optimization of storage space allocation in container terminal where 54% reduction in containers handling time in port is achieved.

Keywords: Container terminal, discrete-event simulation, optimization, storage space allocation.

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Authors: Abdullah Abu-Tineh, Carol Murphy, Nigel Calder, Nasser Mansour

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This paper reports on an aspect of e-learning in developing inquiry-based learning (IBL). We present data on the views of teachers and students in Qatar following a professional development programme intended to help teachers implement IBL in their science and mathematics classrooms. Key to this programme was the use of WebQuests. Views of the teachers and students suggested that WebQuests helped students to develop technical skills, work collaboratively and become independent in their learning. The use of WebQuests also enabled a combination of digital and non-digital tools that helped students connect ideas and enhance their understanding of topics.

Keywords: Digital technology, inquiry-based learning, mathematics and science education, professional development.

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Authors: Nasser AlShawaaf, Soo Hee Lee

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Arts globalisation represents a different phenomenon than arts commercialisation which was facilitated by local cultural policies. This study examines the causes and effects of globalisation of art museums in France. Building on art literature, we conducted a literature review of cultural policies. Our findings show that the cultural policies of the French government since the 1980s of cultural democratisation, cultural decentralisation, and implementing market principles on the cultural sector are leading to arts globalisation. Although globalisation is producing economic benefits and enhancing cultural reach, however, the damages include artistic values and creativity, cultural heritage and representation, and the museum itself. Art museums and host cities could overcome negative consequences through a hybrid collection display and develop local collections gradually.

Keywords: Cultural policy, cultural decentralisation, cultural globalisation, art museums, contextual analysis, France.

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Authors: A. Boualouch, A. Essadki, T. Nasser, A. Boukhriss, A. Frigui

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This paper presents a power control for a Doubly Fed Induction Generator (DFIG) using in Wind Energy Conversion System (WECS) connected to the grid. The proposed control strategy employs two nonlinear controllers, Backstipping (BSC) and slidingmode controller (SMC) scheme to directly calculate the required rotor control voltage so as to eliminate the instantaneous errors of active and reactive powers. In this paper the advantages of BSC and SMC are presented, the performance and robustness of this two controller’s strategy are compared between them. First, we present a model of wind turbine and DFIG machine, then a synthesis of the controllers and their application in the DFIG power control. Simulation results on a 1.5MW grid-connected DFIG system are provided by MATLAB/Simulink.

Keywords: Backstipping, DFIG, power control, sliding-mode, WESC.

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Authors: Sara Mensou, Ahmed Essadki, Issam Minka, Tamou Nasser, Badr Bououlid Idrissi

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In this paper we present a contribution for the modeling and control of wind energy conversion system based on a Doubly Fed Induction Generator (DFIG). Since the wind speed is random the system has to produce an optimal electrical power to the Network and ensures important strength and stability. In this work, the Backstepping controller is used to control the generator via two converter witch placed a DC bus capacitor and connected to the grid by a Filter R-L, in order to optimize capture wind energy. All is simulated and presented under MATLAB/Simulink Software to show performance and robustness of the proposed controller.

Keywords: Wind turbine, doubly fed induction generator, MPPT control, backstepping controller, power converter.

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Authors: Nasser Erfani Majd, Mojtaba Lotfizad

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In this paper, an ultra low power and low jitter 12bit CMOS digitally controlled oscillator (DCO) design is presented. Based on a ring oscillator implemented with low power Schmitt trigger based inverters. Simulation of the proposed DCO using 32nm CMOS Predictive Transistor Model (PTM) achieves controllable frequency range of 550MHz~830MHz with a wide linearity and high resolution. Monte Carlo simulation demonstrates that the time-period jitter due to random power supply fluctuation is under 31ps and the power consumption is 0.5677mW at 750MHz with 1.2V power supply and 0.53-ps resolution. The proposed DCO has a good robustness to voltage and temperature variations and better linearity comparing to the conventional design.

Keywords: digitally controlled oscillator (DCO), low power, jitter; good linearity, robust

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Authors: Nasser Ghassembaglou, Abdullah Bolek, Oktay Yilmaz, Ertan Oznergiz, Hikmet Kocabas, Safak Yilmaz

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Nanofibers are effective materials which have frequently been investigated to produce high quality air filters. As an environmental approach our aim is to achieve nanofibers by melting. In spun-bond systems extruder, spin-pump, nozzle package and attenuator are used. Molten polymer which flows from extruder is made steady by spin-pump. Regular melt passes through nozzle holes and forms fibers under high pressure. The fibers pulled from nozzle are shrunk to micron size by an attenuator; after solidification, they are collected on a conveyor. In this research different designs of attenuator system have been studied; and also CFD analysis has been done on these different designs. Afterwards, one of these designs tested and finally some optimizations have been done to reduce pressure loss and increase air velocity.

Keywords: Attenuator, nanofiber, spun-bond.

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Authors: Nasser Mohamed Ramli, Nurul Izzati Zulkifli

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Sump can be defined as a reservoir which contains slurry; a mixture of solid and liquid or water, in it. Sump system is an unsteady process owing to the level response. Sump level shall be monitored carefully by using a good controller to avoid overflow. The current conventional controllers would not be able to solve problems with large time delay and nonlinearities, Fuzzy Logic controller is tested to prove its ability in solving the listed problems of slurry sump. Therefore, in order to justify the effectiveness and reliability of these controllers, simulation of the sump system was created by using MATLAB and the results were compared. According to the result obtained, instead of Proportional-Integral (PI) and Proportional-Integral and Derivative (PID), Fuzzy Logic controller showed the best result by offering quick response of 0.32 s for step input and 5 s for pulse generator, by producing small Integral Absolute Error (IAE) values that are 0.66 and 0.36 respectively.

Keywords: Fuzzy, sump, level, controller.

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Authors: Nasser Mohamed Ramli, Mohamad Syafiq Mohamad

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Many types of controllers were applied on the continuous stirred tank reactor (CSTR) unit to control the temperature. In this research paper, Proportional-Integral-Derivative (PID) controller are compared with Fuzzy Logic controller for temperature control of CSTR. The control system for temperature non-isothermal of a CSTR will produce a stable response curve to its set point temperature. A mathematical model of a CSTR using the most general operating condition was developed through a set of differential equations into S-function using MATLAB. The reactor model and S-function are developed using m.file. After developing the S-function of CSTR model, User-Defined functions are used to link to SIMULINK file. Results that are obtained from simulation and temperature control were better when using Fuzzy logic control compared to PID control.

Keywords: CSTR, temperature, PID, fuzzy logic.

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Authors: Leila Torkaman, Nasser Ghassembaglou

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Significant quota of Municipal Electrical Energy consumption is related to Decentralized Air Conditioning which is mostly provided by evaporative coolers. So the aim is to optimize design of air conditioners to increase their efficiencies. To achieve this goal, results of practical standardized tests for 40 evaporative coolers in different types collected and simultaneously results for same coolers based on one of EER (Energy Efficiency Ratio) modeling styles are figured out. By comparing experimental results of different coolers standardized tests with modeling results, preciseness of used model is assessed and after comparing gained preciseness with international standards based on EER for cooling capacity, aeration, and also electrical energy consumption, energy label from A (most effective) to G (less effective) is classified; finally needed methods to optimize energy consumption and coolers’ classification are provided.

Keywords: Cooler, EER, Energy Label, Optimization.

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Authors: Bita Tadayon, Nasser Salmasi

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This research deals with a flexible flowshop scheduling problem with arrival and delivery of jobs in groups and processing them individually. Due to the special characteristics of each job, only a subset of machines in each stage is eligible to process that job. The objective function deals with minimization of sum of the completion time of groups on one hand and minimization of sum of the differences between completion time of jobs and delivery time of the group containing that job (waiting period) on the other hand. The problem can be stated as FFc / rj , Mj / irreg which has many applications in production and service industries. A mathematical model is proposed, the problem is proved to be NPcomplete, and an effective heuristic method is presented to schedule the jobs efficiently. This algorithm can then be used within the body of any metaheuristic algorithm for solving the problem.

Keywords: flexible flowshop scheduling, group processing, machine eligibility constraint, mathematical modeling.

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Authors: Nasser M. Amaitik, Ngwan F. Elsagzli

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Lean technique is very important in the service and industrial fields. It is defined as an effective tool to eliminate the wastes. In lean the wastes are defined as anything which does not add value to the end product. There are wastes that can be avoided, but some are unavoidable for many reasons.    

The present study aims to apply the principles of lean in two different sectors, healthcare and industry. Two case studies have been selected to apply the experimental work. The first case was Al-Jalaa Hospital, while the second case study was the Technical Company of Aluminum Sections in Benghazi, LIBYA. In both case studies the Value Stream Map (VSM) of the current state has been constructed. The proposed plans have been implemented by merging or eliminating procedures or processes.

The results obtained from both case studies showed improvement in Capacity, Idle time and Utilized time.

Keywords: Healthcare service delivery, Idle time, Lean principles, Utilized time, Value stream mapping, Wastes.

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Authors: Nasser Alkorbi, Manuel Hernández-Pérez, Seamus Simpson

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Twitter is a platform service that has quickly risen to prominence as the social media platform most preferred for strategic communication campaigns. It is used by most of the Non-Profit Organizations (NPO) in Saudi Arabia, making it the most popular social media platform in the country. Non-Profit Organizations (NPOs) use Twitter to raise awareness of social issues and to communicate with stakeholders. Despite the features Twitter has recently introduced, this paper investigates how NPOs (Foodbanks) in Saudi Arabia use Twitter to raise awareness of food waste, as well as their posting behaviour over a two-year period. By the end of the research, we were able to provide a framework for using Twitter which new or existing NPOs can adopt, as well as helping NPOs (Foodbanks) to recognize and become aware of the impact of Twitter.

Keywords: Awareness, food banks, food waste, Saudi Arabia, social media, Twitter.

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Authors: Nasser Shamskia, Seyyed Habib Rahmati, Hassan Haleh , Seyyedeh Hoda Rahmati

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The main criteria of designing in the most hydraulic constructions essentially are based on runoff or discharge of water. Two of those important criteria are runoff and return period. Mostly, these measures are calculated or estimated by stochastic data. Another feature in hydrological data is their impreciseness. Therefore, in order to deal with uncertainty and impreciseness, based on Buckley-s estimation method, a new fuzzy method of evaluating hydrological measures are developed. The method introduces triangular shape fuzzy numbers for different measures in which both of the uncertainty and impreciseness concepts are considered. Besides, since another important consideration in most of the hydrological studies is comparison of a measure during different months or years, a new fuzzy method which is consistent with special form of proposed fuzzy numbers, is also developed. Finally, to illustrate the methods more explicitly, the two algorithms are tested on one simple example and a real case study.

Keywords: Fuzzy Discharge, Fuzzy estimation, Fuzzy ranking method, Hydrological data

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Authors: Sedighe Arabameri, Nasser Salmasi

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In this researcha particle swarm optimization (PSO) algorithm is proposedfor no-wait flowshopsequence dependent setuptime scheduling problem with weighted earliness-tardiness penalties as the criterion (
|, |Σ   " ).The smallestposition value (SPV) rule is applied to convert the continuous value of position vector of particles in PSO to job permutations.A timing algorithm is generated to find the optimal schedule and calculate the objective function value of a given sequence in PSO algorithm. Twodifferent neighborhood structures are applied to improve the solution quality of PSO algorithm.The first one is based on variable neighborhood search (VNS) and the second one is a simple one with invariable structure. In order to compare the performance of two neighborhood structures, random test problems are generated and solved by both neighborhood approaches.Computational results show that the VNS algorithmhas better performance than the other one especially for the large sized problems.

Keywords: minimization of summation of weighed earliness and tardiness, no-wait flowshop scheduling, particle swarm optimization, sequence dependent setup times

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Authors: Setareh Shekarsaraei, Marjan Moridi, Nasser L. Hadipour

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In this study, nuclear magnetic resonance spectroscopy and nuclear quadrupole resonance spectroscopy parameters of 14N (Nitrogen in imidazole ring) in N–H…O hydrogen bonding for Histidine hydrochloride monohydrate were calculated via density functional theory. We considered a five-molecule model system of Histidine hydrochloride monohydrate. Also we examined the trends of environmental effect on hydrogen bonds as well as cooperativity. The functional used in this research is M06-2X which is a good functional and the obtained results has shown good agreement with experimental data. This functional was applied to calculate the NMR and NQR parameters. Some correlations among NBO parameters, NMR and NQR parameters have been studied which have shown the existence of strong correlations among them. Furthermore, the geometry optimization has been performed using M062X/6-31++G(d,p) method. In addition, in order to study cooperativity and changes in structural parameters, along with increase in cluster size, natural bond orbitals have been employed.

Keywords: Hydrogen bonding, Density Functional Theory (DFT), Natural bond Orbitals (NBO), cooperativity effects.

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