Search results for: Singular systems

Authors: Santanu Santra, Utpal Roy

Abstract:

The most important mathematical operation for any computing system is addition. An efficient adder can be of greater assistance in designing of any arithmetic circuits. Quantum-dot Cellular Automata (QCA) is a promising nanotechnology to create electronic circuits for computing devices and suitable candidate for next generation of computing systems. The article presents a modest approach to implement a novel XOR gate. The gate is simple in structure and powerful in terms of implementing digital circuits. By applying the XOR gate, the hardware requirement for a QCA circuit can be decrease and circuits can be simpler in level, clock phase and cell count. In order to verify the functionality of the proposed device some implementation of Half Adder (HA) and Full Adder (FA) is checked by means of computer simulations using QCA-Designer tool. Simulation results and physical relations confirm its usefulness in implementing every digital circuit.

Keywords: Clock, Computing system, Majority gate, QCA, QCA Designer.

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Authors: H. Baazaoui Zghal, S. Faiz, H. Ben Ghezala

Abstract:

Data mining is an extraordinarily demanding field referring to extraction of implicit knowledge and relationships, which are not explicitly stored in databases. A wide variety of methods of data mining have been introduced (classification, characterization, generalization...). Each one of these methods includes more than algorithm. A system of data mining implies different user categories,, which mean that the user-s behavior must be a component of the system. The problem at this level is to know which algorithm of which method to employ for an exploratory end, which one for a decisional end, and how can they collaborate and communicate. Agent paradigm presents a new way of conception and realizing of data mining system. The purpose is to combine different algorithms of data mining to prepare elements for decision-makers, benefiting from the possibilities offered by the multi-agent systems. In this paper the agent framework for data mining is introduced, and its overall architecture and functionality are presented. The validation is made on spatial data. Principal results will be presented.

Keywords: Databases, data mining, multi-agent, spatial datamart.

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Authors: Mehdi Salehi Barough, Saviz Sehat Kashani, A.A. Bidokhti, A.Ranjbar

Abstract:

The presence of cold air with the convergent topography of the Lut valley over the valley-s sloping terrain can generate Low Level Jets (LLJ). Moreover, the valley-parallel pressure gradients and northerly LLJ are produced as a result of the large-scale processes. In the numerical study the regional MM5 model was run leading to achieve an appropriate dynamical analysis of flows in the region for summer and winter. The results of this study show the presence of summer synoptical systems cause the formation of north-south pressure gradients in the valley which could be led to the blowing of winds with the velocity more than 14 ms-1 and vulnerable dust and wind storms lasting more than 120 days. Whereas the presence of cold air masses in the region in winter, cause the average speed of LLJs decrease. In this time downslope flows are noticeable in creating the night LLJs.

Keywords: Cold advection, Low Level Jet, MM5 Model, Pressure gradient

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Authors: J. G. Batista, L. J. de Bessa Neto, M. A. F. B. Lima, J. R. Leite, J. I. de Andrade Nunes

Abstract:

The robot manipulator is an equipment that stands out for two reasons: Firstly because of its characteristics of movement and reprogramming, resembling the arm; secondly, by adding several areas of knowledge of science and engineering. The present work shows the development of the prototype of a robotic manipulator driven by a Programmable Logic Controller (PLC), having two degrees of freedom, which allows the movement and displacement of mechanical parts, tools, and objects in general of small size, through an electronic system. The aim is to study direct and inverse kinematics of the robotic manipulator to describe the translation and rotation between two adjacent links of the robot through the Denavit-Hartenberg parameters. Currently, due to the many resources that microcomputer systems offer us, robotics is going through a period of continuous growth that will allow, in a short time, the development of intelligent robots with the capacity to perform operations that require flexibility, speed and precision.

Keywords: Direct and inverse kinematics, Denavit-Hartenberg, microcontrollers, robotic manipulator.

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Authors: Vahid Khalajzadeh, Ghassem Heidarinejad

Abstract:

In this paper, the feasibility study of using a hybrid system of ground heat exchangers (GHE) and direct evaporative cooling system in arid weather condition has been performed. The model is applied for Yazd and Kerman, two cities with arid weather condition in Iran. The system composed of three sections: Ground- Coupled-Circuit (GCC), Direct Evaporative Cooler (DEC) and Cooling Coil Unite (CCU). The GCC provides the necessary precooling for DEC. The GCC includes four vertical GHE which are designed in series configuration. Simulation results show that hybridization of GCC and DEC could provide comfort condition whereas DEC alone did not. Based on the results the cooling effectiveness of a hybrid system is more than unity. Thus, this novel hybrid system could decrease the air temperature below the ambient wet-bulb temperature. This environmentally clean and energy efficient system can be considered as an alternative to the mechanical vapor compression systems.

Keywords: Computational Fluid Dynamics (CFD), Cooling CoilUnit (CCU), Direct Evaporative Cooling (DEC), Ground CoupledCircuit (GCC)

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Authors: Sameh H. Ghwanmeh

Abstract:

In this study a clustering technique has been implemented which is K-Means like with hierarchical initial set (HKM). The goal of this study is to prove that clustering document sets do enhancement precision on information retrieval systems, since it was proved by Bellot & El-Beze on French language. A comparison is made between the traditional information retrieval system and the clustered one. Also the effect of increasing number of clusters on precision is studied. The indexing technique is Term Frequency * Inverse Document Frequency (TF * IDF). It has been found that the effect of Hierarchical K-Means Like clustering (HKM) with 3 clusters over 242 Arabic abstract documents from the Saudi Arabian National Computer Conference has significant results compared with traditional information retrieval system without clustering. Additionally it has been found that it is not necessary to increase the number of clusters to improve precision more.

Keywords: Hierarchical K-mean like clustering (HKM), Kmeans, cluster centroids, initial partition, and document distances

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Authors: S. M. Nigdeli, M. H. Boduroglu

Abstract:

In this study, active tendons with Proportional Integral Derivation type controllers were applied to a SDOF and a MDOF building model. Physical models of buildings were constituted with virtual springs, dampers and rigid masses. After that, equations of motion of all degrees of freedoms were obtained. Matlab Simulink was utilized to obtain the block diagrams for these equations of motion. Parameters for controller actions were found by using a trial method. After earthquake acceleration data were applied to the systems, building characteristics such as displacements, velocities, accelerations and transfer functions were analyzed for all degrees of freedoms. Comparisons on displacement vs. time, velocity vs. time, acceleration vs. time and transfer function (Db) vs. frequency (Hz) were made for uncontrolled and controlled buildings. The results show that the method seems feasible.

Keywords: Active Tendons, Proportional Integral DerivationType Controllers, SDOF, MDOF, Earthquake, Building.

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Authors: Alexander Urbach, Mukharbij Banov, Vladislav Turko

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Fatigue tests of specimen-s with numerous holes are presented. The tests were made up till fatigue cracks have been created on both sides of the hole. Their extension was stopping with pressed plastic deformation at the mouth of the detected crack. It is shown that the moments of occurrence of cracks on holes are stochastically dependent. This dependence has positive and negative correlation relations. Shown that the positive correlation is formed across of the applied force, while negative one – along it. The negative relationship extends over a greater distance. The mathematical model of dependence area formation is represented as well as the estimating of model parameters. The positive correlation of fatigue cracks origination can be considered as an extension of one main crack. With negative correlation the first crack locates the place of its origin, leading to the appearance of multiple cracks; do not merge with each other.

Keywords: Correlation analysis, fatigue damage accumulation, local area, mathematical model.

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Authors: Bianca A. Szasz, Keiichi Okuyama

Abstract:

As the human race will continue to explore the space by creating new space transportation means and sending them to other planets, the enhance of atmospheric reentry study is crucial. In this context, an analysis of mass recession rate of ablative materials for thermal shields of reentry spacecrafts is important to be carried out. The paper describes a new estimation method for calculating the mass recession of an ablator system made of carbon fiber reinforced plastic materials. This method is based on Arrhenius equation for low temperatures and, for high temperatures, on a theory applied for the recession phenomenon of carbon fiber reinforced plastic materials, theory which takes into account the presence of the resin inside the materials. The space mission of USERS spacecraft is considered as a case study.

Keywords: Ablator system, mass recession, spacecraft, atmospheric reentry.

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Authors: Zanariah Abdul Majid, Mohamed Suleiman

Abstract:

The aim of this paper is to investigate the performance of the developed two point block method designed for two processors for solving directly non stiff large systems of higher order ordinary differential equations (ODEs). The method calculates the numerical solution at two points simultaneously and produces two new equally spaced solution values within a block and it is possible to assign the computational tasks at each time step to a single processor. The algorithm of the method was developed in C language and the parallel computation was done on a parallel shared memory environment. Numerical results are given to compare the efficiency of the developed method to the sequential timing. For large problems, the parallel implementation produced 1.95 speed-up and 98% efficiency for the two processors.

Keywords: Numerical methods, parallel method, block method, higher order ODEs.

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Authors: Mohammad H. Almomani, Rosmanjawati Abdul Rahman

Abstract:

Statistical selection procedures are used to select the best simulated system from a finite set of alternatives. In this paper, we present a procedure that can be used to select the best system when the number of alternatives is large. The proposed procedure consists a combination between Ranking and Selection, and Ordinal Optimization procedures. In order to improve the performance of Ordinal Optimization, Optimal Computing Budget Allocation technique is used to determine the best simulation lengths for all simulation systems and to reduce the total computation time. We also argue the effect of increment in simulation samples for the combined procedure. The results of numerical illustration show clearly the effect of increment in simulation samples on the proposed combination of selection procedure.

Keywords: Indifference-Zone, Optimal Computing Budget Allocation, Ordinal Optimization, Ranking and Selection, Subset Selection.

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Authors: Baljinder K. Gill, V. K. Rattan, Seema Kapoor

Abstract:

Isobaric vapor-liquid equilibrium measurements are reported for the binary mixtures of n-Butylamine and Triethylamine with Cumene at 97.3 kPa. The measurements have been performed using a vapor recirculating type (modified Othmer's) equilibrium still. The binary mixture of n-Butylamine + Cumene shows positive deviation from ideality. Triethylamine + Cumene mixture shows negligible deviation from ideality. None of the systems form an azeotrope. The activity coefficients have been calculated taking into consideration the vapor phase nonideality. The data satisfy the thermodynamic consistency test of Herington. The activity coefficients have been satisfactorily correlated by means of the Margules, NRTL, and Black equations. The activity coefficient values obtained by the UNIFAC model are also reported.

Keywords: Binary mixture, cumene, n-butylamine, triethylamine, vapor-liquid equilibrium.

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Authors: N. Tahouni, M. Gholami, M. H. Panjeshahi

Abstract:

Gas flaring is one of the most GHG emitting sources in the oil and gas industries. It is also a major way for wasting such an energy that could be better utilized and even generates revenue. Minimize flaring is an effective approach for reducing GHG emissions and also conserving energy in flaring systems. Integrating waste and flared gases into the fuel gas networks (FGN) of refineries is an efficient tool. A fuel gas network collects fuel gases from various source streams and mixes them in an optimal manner, and supplies them to different fuel sinks such as furnaces, boilers, turbines, etc. In this article we use fuel gas network model proposed by Hasan et al. as a base model and modify some of its features and add constraints on emission pollution by gas flaring to reduce GHG emissions as possible. Results for a refinery case study showed that integration of flare gas stream with waste and natural gas streams to construct an optimal FGN can significantly reduce total annualized cost and flaring emissions.

Keywords: Flaring, Fuel gas network, GHG emissions.

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Authors: Rosemarie Velik, Dietmar Bruckner

Abstract:

Today, building automation is advancing from simple monitoring and control tasks of lightning and heating towards more and more complex applications that require a dynamic perception and interpretation of different scenes occurring in a building. Current approaches cannot handle these newly upcoming demands. In this article, a bionically inspired approach for multimodal, dynamic scene perception and interpretation is presented, which is based on neuroscientific and neuro-psychological research findings about the perceptual system of the human brain. This approach bases on data from diverse sensory modalities being processed in a so-called neuro-symbolic network. With its parallel structure and with its basic elements being information processing and storing units at the same time, a very efficient method for scene perception is provided overcoming the problems and bottlenecks of classical dynamic scene interpretation systems.

Keywords: building automation, biomimetrics, dynamic scene interpretation, human-like perception, neuro-symbolic networks.

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Authors: M. R. Aghaebrahimi, H. Khorashadi Zadeh

Abstract:

This paper presents a new approach for busbar protection with stable operation of current transformer during saturation, using fuzzy neuro and symmetrical components theory. This technique uses symmetrical components of current signals to learn the hidden relationship existing in the input patterns. Simulation studies are preformed and the influence of changing system parameters such as inception fault and source impedance is studied. Details of the design procedure and the results of performance studies with the proposed relay are given in the paper. An analysis of the performance of the proposed technique during ct saturation conditions is presented. The performance of the technique was investigated for a variety of operating conditions and for several busbar configurations. Data generated by EMTDC simulations of model power systems were used in the investigations. The results indicate that the proposed technique is stable during ct saturation conditions.

Keywords: Busbar protection, fuzzy neuro, Ct saturation.

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Authors: Hager Kammoun, Jean Charles Lamirel, Mohamed Ben Ahmed

Abstract:

In this paper, a model for an information retrieval system is proposed which takes into account that knowledge about documents and information need of users are dynamic. Two methods are combined, one qualitative or symbolic and the other quantitative or numeric, which are deemed suitable for many clustering contexts, data analysis, concept exploring and knowledge discovery. These two methods may be classified as inductive learning techniques. In this model, they are introduced to build “long term" knowledge about past queries and concepts in a collection of documents. The “long term" knowledge can guide and assist the user to formulate an initial query and can be exploited in the process of retrieving relevant information. The different kinds of knowledge are organized in different points of view. This may be considered an enrichment of the exploration level which is coherent with the concept of document/query structure.

Keywords: Information Retrieval Systems, machine learning, classification, Galois lattices, Self Organizing Map.

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Authors: S. Olyaee, M. Seifouri, A. Nikoosohbat, M. Shams Esfand Abadi

Abstract:

Photonic Crystal Fibers (PCFs) can be used in optical communications as transmission lines. For this reason, the PCFs with low confinement loss, low chromatic dispersion, and low nonlinear effects are highly suitable transmission media. In this paper, we introduce a new design of index-guiding nanostructured photonic crystal fiber (IG-NPCF) with ultra-low chromatic dispersion, low nonlinearity effects, and low confinement loss. Relatively low dispersion is achieved in the wavelength range of 1200 to 1600nm using the proposed design. According to the new structure of nanostructured PCF presented in this study, the chromatic dispersion slope is -30(ps/km.nm) and the confinement loss reaches below 10-7 dB/km. While in the wavelength range mentioned above at the same time an effective area of more than 50.2μm2 is obtained.

Keywords: Optical communication systems, nanostructured, index-guiding, dispersion, confinement loss, photonic crystal fiber.

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Authors: M.Heenaye-Mamode Khan, R.K. Subramanian, N. A. Mamode Khan

Abstract:

The quest of providing more secure identification system has led to a rise in developing biometric systems. Dorsal hand vein pattern is an emerging biometric which has attracted the attention of many researchers, of late. Different approaches have been used to extract the vein pattern and match them. In this work, Principle Component Analysis (PCA) which is a method that has been successfully applied on human faces and hand geometry is applied on the dorsal hand vein pattern. PCA has been used to obtain eigenveins which is a low dimensional representation of vein pattern features. Low cost CCD cameras were used to obtain the vein images. The extraction of the vein pattern was obtained by applying morphology. We have applied noise reduction filters to enhance the vein patterns. The system has been successfully tested on a database of 200 images using a threshold value of 0.9. The results obtained are encouraging.

Keywords: Biometric, Dorsal vein pattern, PCA.

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Authors: Nam Don Kim, Jungho Moon, Tae Yun Chung

Abstract:

This paper proposes an Internet of Things (IoT) based virtualization platform for providing smart tourism services. The virtualization platform provides a consistent access interface to various types of data by naming IoT devices and legacy information systems as pathnames in a virtual file system. In the other words, the IoT virtualization platform functions as a middleware which uses the metadata for underlying collected data. The proposed platform makes it easy to provide customized tourism information by using tourist locations collected by IoT devices and additionally enables to create new interactive smart tourism services focused on the tourist locations. The proposed platform is very efficient so that the provided tourism services are isolated from changes in raw data and the services can be modified or expanded without changing the underlying data structure.

Keywords: Internet of Things, IoT platform, service platform, virtual file system.

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Authors: Farzad Yavari, Hamid Chegini, Saeed Lotfi

Abstract:

This paper reviews the comparison of Resin Rich (RR) and Vacuum Pressure Impregnation (VPI) insulation system qualities for stator bar of rotating electrical machines. Voltage endurance and tangent delta are two diagnostic tests to determine the quality of insulation systems. The paper describes the trend of dissipation factor while performing voltage endurance test for different stator bar samples made with RR and VPI insulation system methods. Some samples were made with the same strands and insulation thickness but with different main wall material to prove the influence of insulation system methods on stator bar quality. Also, some of the samples were subjected to voltage at the temperature of their insulation class, and their dissipation factor changes were measured and studied.

Keywords: Vacuum pressure impregnation, resin rich, insulation, stator bar, dissipation factor, voltage endurance.

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Authors: Jeffrey A. Dunne, Kevin Ligozio

Abstract:

In many applications there is a broad variety of information relevant to a focal “object" of interest, and the fusion of such heterogeneous data types is desirable for classification and categorization. While these various data types can sometimes be treated as orthogonal (such as the hull number, superstructure color, and speed of an oil tanker), there are instances where the inference and the correlation between quantities can provide improved fusion capabilities (such as the height, weight, and gender of a person). A service-oriented architecture has been designed and prototyped to support the fusion of information for such “object-centric" situations. It is modular, scalable, and flexible, and designed to support new data sources, fusion algorithms, and computational resources without affecting existing services. The architecture is designed to simplify the incorporation of legacy systems, support exact and probabilistic entity disambiguation, recognize and utilize multiple types of uncertainties, and minimize network bandwidth requirements.

Keywords: Data fusion, distributed computing, service-oriented architecture, SOA

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Authors: Michela Lecca, Stefano Messelodi

Abstract:

A new automatic system for the recognition and re¬construction of resealed and/or rotated partially occluded objects is presented. The objects to be recognized are described by 2D views and each view is occluded by several half-planes. The whole object views and their visible parts (linear cuts) are then stored in a database. To establish if a region R of an input image represents an object possibly occluded, the system generates a set of linear cuts of R and compare them with the elements in the database. Each linear cut of R is associated to the most similar database linear cut. R is recognized as an instance of the object 0 if the majority of the linear cuts of R are associated to a linear cut of views of 0. In the case of recognition, the system reconstructs the occluded part of R and determines the scale factor and the orientation in the image plane of the recognized object view. The system has been tested on two different datasets of objects, showing good performance both in terms of recognition and reconstruction accuracy.

Keywords: Occluded Object Recognition, Shape Reconstruction, Automatic Self-Adaptive Systems, Linear Cut.

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Authors: Guangyu Liu

Abstract:

In the last decade, energy based control theory has undergone a significant breakthrough in dealing with underactated mechanical systems with two successful and similar tools, controlled Lagrangians and controlled Hamiltanians (IDA-PBC). However, because of the complexity of these tools, successful case studies are lacking, in particular, MIMO cases. The seminal theoretical paper of controlled Lagrangians proposed by Bloch and his colleagues presented a benchmark example–a 4 d.o.f underactuated pendulum on a cart but a detailed and completed design is neglected. To compensate this ignorance, the note revisit their design idea by addressing explicit control functions for a similar device motivated by a vector thrust body hovering in the air. To the best of our knowledge, this system is the first MIMO, underactuated example that is stabilized by using energy based tools at the courtesy of the original design idea. Some observations are given based on computer simulation.

Keywords: Controlled Lagrangian, Energy Shaping, Spherical Inverted Pendulum, Controlled Hamiltonian.

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Authors: Jinming Ma, Tianbing Xia, Janusz R. Getta

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This paper presents the application of fuzzy set theory to implement of mobile advertisement anti-fraud systems. Mobile anti-fraud is a method aiming to identify mobile advertisement fraudsters. One of the main problems of mobile anti-fraud is the lack of evidence to prove a user to be a fraudster. In this paper, we implement an application by using fuzzy set theory to demonstrate how to detect cheaters. The advantage of our method is that the hardship in detecting fraudsters in small data samples has been avoided. We achieved this by giving each user a suspicious degree showing how likely the user is cheating and decide whether a group of users (like all users of a certain APP) together to be fraudsters according to the average suspicious degree. This makes the process more accurate as the data of a single user is too small to be predictable.

Keywords: Mobile internet, advertisement, anti-fraud, fuzzy set theory.

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Authors: Omar M. Ben-Sasi

Abstract:

A total of fourteen slab-edge beam-column connection specimens were tested gradually to failure under the effect of simultaneous action of shear force and moment. The objective was to investigate the influence of some parameters thought to be important on the behavior and strength of slab-column connections with edge beams encountered in flat slab flooring and roofing systems. The parameters included the existence and strength of edge beam, depth and width of edge beam, steel reinforcement ratio of slab, ratio of moment to shear force, and the existence of openings in the region next to the column.

Results obtained demonstrated the importance of the studied parameters on the strength and behavior of slab-column connections with edge beams.

Keywords: Strength, flat slab, slab-column connections, shear force, moment, behavior.

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Authors: Ahmad. A. Kardan, Amir Narimani, Foozhan Ataiefard

Abstract:

Recommender Systems have been developed to provide contents and services compatible to users based on their behaviors and interests. Due to information overload in online discussion forums and users diverse interests, recommending relative topics and threads is considered to be helpful for improving the ease of forum usage. In order to lead learners to find relevant information in educational forums, recommendations are even more needed. We present a hybrid thread recommender system for MOOC forums by applying social network analysis and association rule mining techniques. Initial results indicate that the proposed recommender system performs comparatively well with regard to limited available data from users' previous posts in the forum.

Keywords: Association rule mining, hybrid recommender system, massive open online courses, MOOCs, social network analysis.

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Authors: Heather Wyman-Pain, Yuankai Bian, Furong Li

Abstract:

The decreasing use of fossil fuel power stations has a negative effect on the stability of the electricity systems in many countries. Nuclear power stations have traditionally provided minimal ancillary services to support the system but this must change in the future as they replace fossil fuel generators. This paper explains the development of the four most popular reactor types still in regular operation across the world which have formed the basis for most reactor development since their commercialisation in the 1950s. The use of nuclear power in four countries with varying levels of capacity provided by nuclear generators is investigated, using the primary frequency response provided by generators as a measure for the electricity networks stability, to assess the need for nuclear generators to provide additional support as their share of the generation capacity increases.

Keywords: Frequency control, nuclear power generation, power system stability, system inertia.

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Authors: S. Chokri

Abstract:

Load modeling is one of the central functions in power systems operations. Electricity cannot be stored, which means that for electric utility, the estimate of the future demand is necessary in managing the production and purchasing in an economically reasonable way. A majority of the recently reported approaches are based on neural network. The attraction of the methods lies in the assumption that neural networks are able to learn properties of the load. However, the development of the methods is not finished, and the lack of comparative results on different model variations is a problem. This paper presents a new approach in order to predict the Tunisia daily peak load. The proposed method employs a computational intelligence scheme based on the Fuzzy neural network (FNN) and support vector regression (SVR). Experimental results obtained indicate that our proposed FNN-SVR technique gives significantly good prediction accuracy compared to some classical techniques.

Keywords: Neural network, Load Forecasting, Fuzzy inference, Machine learning, Fuzzy modeling and rule extraction, Support Vector Regression.

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Authors: B.M.N. Nik Hisyamudin, S. Yokoyama, M. Umemoto

Abstract:

In the current study, we have conducted an experimental investigation on the utilization of electronic arc furnace (EAF) reducing slag for the absorption of CO2 via wet grinding method. It was carried out by various grinding conditions. The slag was ground in the vibrating ball mill in the presence of CO2 and pure water under ambient temperature. The reaction behavior was monitored with constant pressure method, and the changes of experimental systems volume as a function of grinding time were measured. It was found that the CO2 absorption occurred as soon as the grinding started. The CO2 absorption was significantly increased in the case of wet grinding compare to the dry grinding. Generally, the amount of CO2 absorption increased as the amount of water, weight of slag and initial pressure increased. However, it was decreased when the amount of water exceeds 200ml and when smaller balls were used. The absorption of CO2 occurred simultaneously with the start of the grinding and it stopped when the grinding was stopped. According to this research, the CO2 reacted with the CaO inside the slag, forming CaCO3.

Keywords: CO2 absorption, EAF reducing slag, vibration ball mill, wet grinding.

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Authors: S. Yamini Sudha, Ashok Khanna

Abstract:

Owing to the stringent environmental legislations, CO2 capture and sequestration is one of the viable solutions to reduce the CO2 emissions from various sources. In this context, Ionic liquids (ILs) are being investigated as suitable absorption media for CO2 capture. Due to their non-evaporative, non-toxic, and non-corrosive nature, these ILs have the potential to replace the existing solvents like aqueous amine solutions for CO2 separation technologies. Thus, the present work aims at studying the important aspects such as the interactions of CO2 molecule with different anions (F-, Br-, Cl-, NO3 -, BF4 -, PF6 -, Tf2N-, and CF3SO3 -) that are commonly used in ILs through molecular modeling. In this, the minimum energy structures have been obtained using Ab initio based calculations at MP2 (Moller-Plesset perturbation) level. Results revealed various degrees of distortion of CO2 molecule (from its linearity) with the anions studied, most likely due to the Lewis acid-base interactions between CO2 and anion. Furthermore, binding energies for the anion-CO2 complexes were also calculated. The implication of anion-CO2 interactions to the solubility of CO2 in ionic liquids is also discussed.

Keywords: CO2, Ionic liquids, capture, molecular modeling, sequestration.

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