Search results for: energy intensity map

Authors: Subir Kundu, Sukhendra Singh, Sumedha Ojha, Kanika Kundu

Abstract:

The continuous decline of petroleum and natural gas reserves and non linear rise of oil price has brought about a realisation of the need for a change in our perpetual dependence on the fossil fuel. A day to day increased consumption of crude and petroleum products has made a considerable impact on our foreign exchange reserves. Hence, an alternate resource for the conversion of energy (both liquid and gas) is essential for the substitution of conventional fuels. Biomass is the alternate solution for the present scenario. Biomass can be converted into both liquid as well as gaseous fuels and other feedstocks for the industries.

Keywords: Bioenergy, Biomass conversion, Biorefining, Efficient utilisation of night soil.

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Authors: Tomio Iwasaki, Yosuke Kawahito

Abstract:

The adhesion strength and wettability at the interfaces between a polyetheretherketone (PEEK) resin and titanium dioxide (TiO2) have become more important because direct joining of PEEK resin and titanium (Ti), whose surface has usually the oxide (TiO2), is needed not only in vehicles such as airplanes, automobiles, and space vehicles, but also in medical devices such as implants. To realize strong joint between the PEEK resin and TiO2, the dependence of the adhesion strength and wettability on crystal orientations of rutile TiO2 were investigated by using molecular simulations. Molecular dynamics simulations were conducted by combining quantum-mechanics equation of electrons with Newton’s equation of motion of nuclear coordinates (atomic coordinates). By putting a PEEK-resin sphere on a rutile TiO2 surface and by heating the system to 650 K, the contact angles at the interfaces were calculated to evaluate the wettability. After the system is cooled to 300 K from 650 K, to evaluate the adhesin strength, the adhesive fracture energy is calculated as the difference between the energy of the PEEK-TiO2 attached state and that of the PEEK-TiO2 detached state. The results of the contact angles showed that PEEK resin on the TiO2(100) and that on the TiO2(001) surface has low wettability with large contact angles. On the other hand, PEEK resin on the TiO2(110) surface has high wettability with a small contact angle. The results of the adhesive fracture energies showed that the adhesion at the PEEK-resin/TiO2(100) and PEEK-resin/TiO2(001) interfaces are weak. On the other hand, the adhesion at the PEEK-resin/TiO2(110) interface is strong. To clarify the reason that the higher wettability and stronger adhesion are obtained at the PEEK/TiO2(110) interface than at the at the PEEK/TiO2(100) and PEEK/TiO2(001) interfaces, atomic configurations at the interfaces were visualized. The atomic configuration at the PEEK/TiO2(110) interface showed that the lattice-matched coherent interface is realized, and the atomic density is high. On the other hand, the atomic configuration at the PEEK/TiO2(001) interface showed the lattice-unmatched incoherent interface. The atomic configuration at the PEEK/TiO2(100) interface showed that the atomic density is very low although the lattice-matched interface is realized. Therefore, the lattice matching and the high atomic density at the PEEK/TiO2(001) interface are considered to be dominant factors in the high wettability and strong adhesion.

Keywords: Adhesion, direct joining, PEEK, TiO2, wettability.

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Authors: T. Tahri, A. Bettahar, M. Douani

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In this work, an attempt is made to design an optimal wind/pv/diesel hybrid power system for a village of Ain Merane, Chlef, Algeria, where the wind speed and solar radiation measurements were made. The aim of this paper is the optimization of a hybrid wind/solar/diesel system applied in term of technical and economic feasibility by simulation using HOMER. A comparison was made between the performance of wind/pv/diesel system and the classic connecting system.

Keywords: Chlef-Algeria, Homer, Renewable energy, Wind-pvdiesel hybrid system.

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Authors: Gabriela-Andreea Despescu, Mădălina-Elena Mavrodin, Gheorghe Lăzăroiu, Florin Adrian Grădinaru

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The purpose of this paper is to contribute to the enhancement of a hydroelectric plant protection by coordinating protection measures / existing security and introducing new measures under a risk management process. In addition, plan identifies key critical elements of a hydroelectric plant, from its level vulnerabilities and threats it is subjected to in order to achieve the necessary protection measures to reduce the level of risk.

Keywords: Critical infrastructure, risk analysis, critical infrastructure protection, vulnerability, risk management, turbine, Impact analysis.

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Authors: A. A Velásquez, J.Baena

Abstract:

This article presents the simulation, parameterization and optimization of an electromagnet with the C–shaped configuration, intended for the study of magnetic properties of materials. The electromagnet studied consists of a C-shaped yoke, which provides self–shielding for minimizing losses of magnetic flux density, two poles of high magnetic permeability and power coils wound on the poles. The main physical variable studied was the static magnetic flux density in a column within the gap between the poles, with 4cm2 of square cross section and a length of 5cm, seeking a suitable set of parameters that allow us to achieve a uniform magnetic flux density of 1x104 Gaussor values above this in the column, when the system operates at room temperature and with a current consumption not exceeding 5A. By means of a magnetostatic analysis by the finite element method, the magnetic flux density and the distribution of the magnetic field lines were visualized and quantified. From the results obtained by simulating an initial configuration of electromagnet, a structural optimization of the geometry of the adjustable caps for the ends of the poles was performed. The magnetic permeability effect of the soft magnetic materials used in the poles system, such as low– carbon steel (0.08% C), Permalloy (45% Ni, 54.7% Fe) and Mumetal (21.2% Fe, 78.5% Ni), was also evaluated. The intensity and uniformity of the magnetic field in the gap showed a high dependence with the factors described above. The magnetic field achieved in the column was uniform and its magnitude ranged between 1.5x104 Gauss and 1.9x104 Gauss according to the material of the pole used, with the possibility of increasing the magnetic field by choosing a suitable geometry of the cap, introducing a cooling system for the coils and adjusting the spacing between the poles. This makes the device a versatile and scalable tool to generate the magnetic field necessary to perform magnetic characterization of materials by techniques such as vibrating sample magnetometry (VSM), Hall-effect, Kerr-effect magnetometry, among others. Additionally, a CAD design of the modules of the electromagnet is presented in order to facilitate the construction and scaling of the physical device.

Keywords: Electromagnet, Finite Elements Method, Magnetostatic, Magnetometry, Modeling.

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Authors: Petre Voicu, Mircea Oaida, Radu Vasiu, Catalin Gheorghiu, Aurel Dumitru

Abstract:

The present work deals with the way in which food and tobacco waste can be used in agriculture. As a result of the lack of efficient technologies for their recycling, we are currently faced with the appearance of appreciable quantities of residual organic residues that find their use only very rarely and only after long storage in landfills. The main disadvantages of long storage of organic waste are the unpleasant smell, the high content of pathogenic agents, and the high content in the water. The release of these enormous amounts imperatively demands the finding of solutions to ensure the avoidance of environmental pollution. The measure practiced by us and presented in this paper consists of the processing of this waste in special installations, testing in pilot experimental perimeters, and later administration on agricultural lands without harming the quality of the soil, agricultural crops, and the environment. The current crisis of raw materials and energy also raises special problems in the field of organic waste valorization, an activity that takes place with low energy consumption. At the same time, their composition recommends them as useful secondary sources in agriculture. The transformation of food scraps and other residues concentrated organics thus acquires a new orientation, in which these materials are seen as important secondary resources. The utilization of food and tobacco waste in agriculture is also stimulated by the increasing lack of chemical fertilizers and the continuous increase in their price, under the conditions that the soil requires increased amounts of fertilizers in order to obtain high, stable, and profitable production. The need to maintain and increase the humus content of the soil is also taken into account, as an essential factor of its fertility, as a source and reserve of nutrients and microelements, as an important factor in increasing the buffering capacity of the soil, and the more reserved use of chemical fertilizers, improving the structure and permeability for water with positive effects on the quality of agricultural works and preventing the excess and/or deficit of moisture in the soil.

Keywords: Organic residue, food and tannery waste, fertilizer, soil.

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Authors: C. K. Chear, S. S. Dol

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For a bluff body, dimples behave like roughness elements in stimulating a turbulent boundary layer, leading to delayed flow separation, a smaller wake and lower form drag. This is very different in principle from the application of dimples to streamlined body, where any reduction in drag would be predominantly due to a reduction in skin friction. In the present work, a car model with different dimple geometry is simulated using k-ε turbulence modeling to determine its effect to the aerodynamics performance. Overall, the results show that the application of dimples manages to reduce the drag coefficient of the car model.

Keywords: Aerodynamics, Boundary Layer, Dimple, Drag, Kinetic Energy, Turbulence.

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Authors: Zakir Husain, Neem Sagar, Neeraj Gupta

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Due to the increased penetration of renewable energy resources in the distribution system, the system is no longer passive in nature. In this paper, a steady state analysis of the distribution system has been done with the inclusion of wind generation. The modeling of wind turbine generator system and wind generator has been made to obtain the average active and the reactive power injection into the system. The study has been conducted on a IEEE-33 bus system with two wind generators. The present research work is useful not only to utilities but also to customers.

Keywords: Distributed generation, distribution network, radial network, wind turbine generating system.

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Authors: Jesús M. Martín, Francisco Corona, Dolores Hidalgo

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Landfills present long-term threats to soil, air, groundwater and surface water due to the formation of greenhouse gases (methane gas and carbon dioxide) and leachate from decomposing garbage. The composition of leachate differs from site to site and also within the landfill. The leachates alter with time (from weeks to years) since the landfilled waste is biologically highly active and their composition varies. Mainly, the composition of the leachate depends on factors such as characteristics of the waste, the moisture content, climatic conditions, degree of compaction and the age of the landfill. Therefore, the leachate composition cannot be generalized and the traditional treatment models should be adapted in each case. Although leachate composition is highly variable, what different leachates have in common is hazardous constituents and their potential eco-toxicological effects on human health and on terrestrial ecosystems. Since leachate has distinct compositions, each landfill or dumping site would represent a different type of risk on its environment. Nevertheless, leachates consist always of high organic concentration, conductivity, heavy metals and ammonia nitrogen. Leachate could affect the current and future quality of water bodies due to uncontrolled infiltrations. Therefore, control and treatment of leachate is one of the biggest issues in urban solid waste treatment plants and landfills design and management. This work presents a treatment model that will be carried out "in-situ" using a cost-effective novel technology that combines solar evaporation/condensation plus forward osmosis. The plant is powered by renewable energies (solar energy, biomass and residual heat), which will minimize the carbon footprint of the process. The final effluent quality is very high, allowing reuse (preferred) or discharge into watercourses. In the particular case of this work, the final effluents will be reused for cleaning and gardening purposes. A minority semi-solid residual stream is also generated in the process. Due to its special composition (rich in metals and inorganic elements), this stream will be valorized in ceramic industries to improve the final products characteristics.

Keywords: Forward osmosis, landfills, leachate valorization, solar evaporation.

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Authors: Sui Yan Wong, Keat Ping Yeoh, Chi Wai Hui

Abstract:

In this study, supercritical steam is introduced to Combined Cycle Power Plant (CCPP) in an attempt to further optimize energy recovery. Subcritical steam is commonly used in the CCPP, operating at maximum pressures around 150-160 bar. Supercritical steam is an alternative to increase heat recovery during vaporization period of water. The idea of improvement using supercritical steam is further examined with the use of exergy, pinch analysis and Aspen Plus simulation.

Keywords: Exergy, pinch, combined cycle power plant, CCPP, supercritical steam.

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Authors: Xiangbin Zhu, Wenjuan Zhang

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In wireless sensor networks,the mobile agent technology is used in data fusion. According to the node residual energy and the results of partial integration,we design the node clustering algorithm. Optimization of mobile agent in the routing within the cluster strategy for wireless sensor networks to further reduce the amount of data transfer. Through the experiments, using mobile agents in the integration process within the cluster can be reduced the path loss in some extent.

Keywords: wireless sensor networks, data fusion, mobile agent

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Authors: M.A. Mohammadi, H.Alinejad, A.Piri

Abstract:

The current sheath dynamics in plasma focus facilities is the most important factors. In this paper the current sheath velocity at three dimensional with Sahand plasma focus facility is investigated. For this purpose the discharge is produced in argon gas with deposited energy lying in the range of 20-37kJ. The current sheath is monitored using two tridimensional magnetic probes. These probes installed near the surface of the interior electrode (anode) at 125mm from the anode axis (pinch place). The effect of gas pressure on the current sheath velocity also is investigated.

Keywords: Plasma focus, Current sheath, magnetic probe

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Authors: Frederike Ohrem, Lukas Sikorski, Bastian Haarmann

Abstract:

Often the users of a semantic search application are facing the problem that they do not find appropriate terms for their search. This holds especially if the data to be searched is from a technical field in which the user does not have expertise. In order to support the user finding the results he seeks, we developed a domain-specific ontology and implemented it into a search application. The ontology serves as a knowledge base, suggesting technical terms to the user which he can add to his query. In this paper, we present the search application and the underlying ontology as well as the project EnArgus in which the application was developed.

Keywords: Information system, knowledge representation, ontology, semantic search.

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Authors: Joon Ho Kim, Duck Su Kim, Tae Kwon Ha

Abstract:

Aluminum/Copper clad sheet has been fabricated using asymmetric extrusion method, which caused severe shear deformation between Al and Cu plate to easily bond to each other. Interfacial microstructure and mechanical properties of Al/Cu clad were studied by scanning electron microscope equipped with energy dispersive X-ray detector, micro-hardness, and tension tests. The asymmetric extrusion bonding was very effective to provide a good interface for atoms diffusion during subsequent annealing. The strength of bonding was higher with the increasing extrusion ratio.

Keywords: Aluminum/Copper clad sheet, Asymmetric extrusion, Interfacial microstructure, Annealing, Tensile test.

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Authors: Mahmoud Beshr, Ivan Andonovic, Moustafa H. Aly

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Visible Light Communication (VLC) offers advantages of low energy consumption, licence free and RF interference free operation. One application area for VLC is in the provision of health centred services circumventing issues of interference with any biomedical device within the environment. VLC performamce is affected by natural light restricting systems avilability and relibility. The paper presents an analysis of the performance of VLC systems under different meteorological conditions. The evaluation considered the impact of natural light as a function of different reflection surfaces in different room sizes.

Keywords: Visible light communication, impulse reponse , performance analysis , natural light.

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Authors: N. Bahiyah Baba, W. Waugh, A.M. Davidson

Abstract:

The paper discusses optimising work on a method of processing ceramic / metal composite coatings for various applications and is based on preliminary work on processing anodes for solid oxide fuel cells (SOFCs). The composite coating is manufactured by the electroless co-deposition of nickel and yttria stabilised zirconia (YSZ) simultaneously on to a ceramic substrate. The effect on coating characteristics of substrate surface treatments and electroless nickel bath parameters such as pH and agitation methods are also investigated. Characterisation of the resulting deposit by scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDXA) is also discussed.

Keywords: Electroless deposition, nickel, YSZ, composite

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Authors: Bharat B. Gulyani, Anuj Jain, Shalendra Kumar

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Customarily, the LMTD correction factor, FT, is used to screen alternative designs for a heat exchanger. Designs with unacceptably low FT values are discarded. In this paper, authors have proposed a more fundamental criterion, based on feasibility of a multipass exchanger as the only criteria, followed by economic optimization. This criterion, coupled with asymptotic energy targets, provide the complete optimization space in a heat exchanger network (HEN), where cost-optimization of HEN can be performed with only Heat Recovery Approach temperature (HRAT) and number-of-shells as variables.

Keywords: heat exchanger, heat exchanger networks, LMTD correction factor, shell targeting.

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Authors: Sh. Hamada, N. Burtebayev, N. Amangeldi, A. Amar

Abstract:

An experiment was performed with a 24.5 MeV 14N beam on a 12C target in the cyclotron DC-60 located in Astana, Kazakhstan, to study the elastic scattering of 14N on 12C; the scattering was also analyzed at different energies for tracking the phenomenon of remarkable structure at large angles. Its aims were to extend the measurements to very large angles, and attempt to uniquely identify the elastic scattering potential. Good agreement between the theoretical and experimental data has been obtained with suitable optical potential parameters. Optical model calculations with l -dependent imaginary potentials were also applied to the data and relatively good agreement was found.

Keywords: Optical Potential Codes, Elastic Scattering, SPIVALCode.

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Authors: Derya Burcu Ozkan, Onur Kiziler, Duriye Bilge

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Cogeneration may be defined as a system which contains electricity production and regain of the thermo value of exhaust gases simultaneously. The examination is based on the data-s of an active cogeneration plant. This study, it is aimed to determine which component of the system should be revised first to raise the efficiency and decrease the loss of exergy. For this purpose, second law analysis of thermodynamics is applied to each component due to consider the effects of environmental conditions and take the quality of energy into consideration as well as the quantity of it. The exergy balance equations are produced and exergy loss is calculated for each component. 44,44 % loss of exergy in heat exchanger, 29,59 % in combustion chamber, 18,68 % in steam boiler, 5,25 % in gas turbine and 2,03 % in compressor is calculated.

Keywords: Cogeneration, Exergy loss, Second law analysis

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Authors: Esther T. Akinlabi, Stephen A. Akinlabi

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Friction Stir Welding (FSW) is a solid state welding process invented and patented by The Welding Institute (TWI) in the United Kingdom in 1991 for butt and lap welding of metals and plastics. This paper highlights the benefits of friction stir welding process as an energy efficient and a green technology process in the field of welding. Compared to the other conventional welding processes, its benefits, typical applications and its use in joining similar and dissimilar materials are also presented.

Keywords: Dissimilar materials, Friction Stir Welding, Green technology, similar materials.

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Authors: M. Momeni Feyli

Abstract:

Many recent high energy physics calculations involving charm and beauty invoke wave function at the origin (WFO) for the meson bound state. Uncertainties of charm and beauty quark masses and different models for potentials governing these bound states require a simple numerical algorithm for evaluation of the WFO's for these bound states. We present a simple algorithm for this propose which provides WFO's with high precision compared with similar ones already obtained in the literature.

Keywords: Mesons, Bound states, Schrodinger equation, Nonrelativistic quark model.

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Authors: Kalangi Rodrigo, Kelum Manamendra-Arachchi

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Bones, teeth, and shells have been acknowledged over the last two centuries as evidence of chronology, Palaeo-environment, and human activity. Faunal traces are valid evidence of past situations because they have properties that have not changed over long periods. Sri Lanka has been known as an Island, which has a diverse variety of prehistoric occupation among ecological zones. Defining the Paleoecology of the past societies has been an archaeological thought developed in the 1960s. It is mainly concerned with the reconstruction from available geological and biological evidence of past biota, populations, communities, landscapes, environments, and ecosystems. This early and persistent human fossil, technical, and cultural florescence, as well as a collection of well-preserved tropical-forest rock shelters with associated 'on-site ' Palaeoenvironmental records, makes Sri Lanka a central and unusual case study to determine the extent and strength of early human tropical forest encounters. Excavations carried out in prehistoric caves in the low country wet zone has shown that in the last 50,000 years, the temperature in the lowland rainforests has not exceeded 5 degrees. Based on Semnopithecus Priam (Gray Langur) remains unearthed from wet zone prehistoric caves, it has been argued periods of momentous climate changes during the Last Glacial Maximum (LGM) and Terminal Pleistocene/Early Holocene boundary, with a recognizable preference for semi-open ‘Intermediate’ rainforest or edges. Continuous genus Acavus and Oligospira occupation along with uninterrupted horizontal pervasive of Canarium sp. (‘kekuna’ nut) have proven that temperatures in the lowland rain forests have not changed by at least 5 °C over the last 50,000 years. Site catchment or territorial analysis cannot be any longer defensible, due to time-distance based factors as well as optimal foraging theory failed as a consequence of prehistoric people were aware of the decrease in cost-benefit ratio and located sites, and generally played out a settlement strategy that minimized the ratio of energy expended to energy produced.

Keywords: Palaeo-environment, palaeo-ecology, palaeo-climate, prehistory, zooarchaeology.

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Authors: M. Douak, Z. Aouachria

Abstract:

The aim of our study is to project an optimized wind turbine of Darrieus type. This type of wind turbine is characterized by a low starting torque in comparison with the Savonius rotor allowing them to operate for a period greater than wind speed. This led us to reconsider the Darrieus rotor to optimize a design which will increase its starting torque. The study of a system of monitoring and control of the angle of attack of blade profile, which allows an auto start to wind speeds as low as possible is presented for the straight blade of Darrieus turbine. The study continues to extend to other configurations namely those of parabolic type.

Keywords: Darrieus turbine, pitch angle, self-stating, wind energy.

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Authors: Tim Byrnes

Abstract:

Quantum computation using qubits made of two component Bose-Einstein condensates (BECs) is analyzed. We construct a general framework for quantum algorithms to be executed using the collective states of the BECs. The use of BECs allows for an increase of energy scales via bosonic enhancement, resulting in two qubit gate operations that can be performed at a time reduced by a factor of N, where N is the number of bosons per qubit. We illustrate the scheme by an application to Deutsch-s and Grover-s algorithms, and discuss possible experimental implementations. Decoherence effects are analyzed under both general conditions and for the experimental implementation proposed.

Keywords: Quantum, computing, information, Bose-Einstein condensates, macroscopic.

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Authors: Radek Fisera, Petr Stluka

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This paper describes a methodology for remote performance monitoring of retail refrigeration systems. The proposed framework starts with monitoring of the whole refrigeration circuit which allows detecting deviations from expected behavior caused by various faults and degradations. The subsequent diagnostics methods drill down deeper in the equipment hierarchy to more specifically determine root causes. An important feature of the proposed concept is that it does not require any additional sensors, and thus, the performance monitoring solution can be deployed at a low installation cost. Moreover only a minimum of contextual information is required, which also substantially reduces time and cost of the deployment process.

Keywords: Condition monitoring, energy baselining, fault detection and diagnostics, commercial refrigeration.

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Authors: Narcis C. Ostahie, Tudor Sajin

Abstract:

In this paper a numerical simulation of electric and hydrodynamic fields distribution in an electrofilter for dielectric liquids cell is made. The simulation is made with the purpose to determine the trajectory of particles that moves under the action of external force in an electric and hydrodynamic field created inside of an electrofilter for dielectric liquids. Particle trajectory is analyzed for a dielectric liquid-solid particles suspension.

Keywords: Dielectric liquids, electrohydrodynamics, energy, high voltage, particles

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Authors: M. Faraji, F. Berroug

Abstract:

A one-dimensional mathematical model was developed in order to analyze and optimize the latent heat storage wall. The governing equations for energy transport were developed by using the enthalpy method and discretized with volume control scheme. The resulting algebraic equations were next solved iteratively by using TDMA algorithm. A series of numerical investigations were conducted in order to examine the effects of the thickness of the PCM layer on the thermal behavior of the proposed heating system. Results are obtained for thermal gain and temperature fluctuation. The charging discharging process was also presented and analyzed.

Keywords: Phase change material, Building, Concrete, Latent heat, Thermal control.

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Authors: Talib Hashim Hasan

Abstract:

This paper describes simple implementation of homotopy (also called continuation) algorithm for determining the proper resistance of the resistor to dissipate energy at a specified rate of an electric circuit. Homotopy algorithm can be considered as a developing of the classical methods in numerical computing such as Newton-Raphson and fixed point methods. In homoptopy methods, an embedding parameter is used to control the convergence. The method purposed in this work utilizes a special homotopy called Newton homotopy. Numerical example solved in MATLAB is given to show the effectiveness of the purposed method

Keywords: electrical circuit homotopy, methods, MATLAB, Newton homotopy

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Authors: Alan Luo, Hunter N. B. Moseley

Abstract:

Many macromolecular structure entries in the Protein Data Bank (PDB) have a range of regional (localized) quality issues, be it derived from X-ray crystallography, Nuclear Magnetic Resonance (NMR) spectroscopy, or other experimental approaches. However, most PDB entries are judged by global quality metrics like R-factor, R-free, and resolution for X-ray crystallography or backbone phi-psi distribution statistics and average restraint violations for NMR. Regional quality is often ignored when PDB entries are re-used for a variety of structurally based analyses. The binding of ligands, especially ligands involved in energy metabolism, is of particular interest in many structurally focused protein studies. Using a regional quality metric that provides chemically interpretable information from electron density maps, a significant number of outliers in regional structural quality was detected across X-ray crystallographic PDB entries for proteins bound to biochemically critical ligands. In this study, a series of analyses was performed to evaluate both specific and general potential factors that could promote these outliers. In particular, these potential factors were the minimum distance to a metal ion, the minimum distance to a crystal contact, and the isotropic atomic b-factor. To evaluate these potential factors, Fisher’s exact tests were performed, using regional quality criteria of outlier (top 1%, 2.5%, 5%, or 10%) versus non-outlier compared to a potential factor metric above versus below a certain outlier cutoff. The results revealed a consistent general effect from region-specific normalized b-factors but no specific effect from metal ion contact distances and only a very weak effect from crystal contact distance as compared to the b-factor results. These findings indicate that no single specific potential factor explains a majority of the outlier ligand-bound regions, implying that human error is likely as important as these other factors. Thus, all factors, including human error, should be considered when regions of low structural quality are detected. Also, the downstream re-use of protein structures for studying ligand-bound conformations should screen the regional quality of the binding sites. Doing so prevents misinterpretation due to the presence of structural uncertainty or flaws in regions of interest.

Keywords: Biomacromolecular structure, coenzyme, electron density discrepancy analysis, X-ray crystallography.

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Authors: I. Mahdavi, R. Janamiri, A. Sinkakarimi, M. Safdari, M. H. Sedaghat, A. Zamani, A. Hoseini, M. Karimi

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In this work, study the location of interface in a stirred vessel with Rushton impeller by computational fluid dynamic was presented. To modeling rotating the impeller, sliding mesh (SM) technique was used and standard k-ε model was selected for turbulence closure. Mean tangential, radial and axial velocities and also turbulent kinetic energy (k) and turbulent dissipation rate (ε) in various points of tank was investigated. Results show sensitivity of system to location of interface and radius of 7 to 10cm for interface in the vessel with existence characteristics cause to increase the accuracy of simulation.

Keywords: CFD, Interface, Rushton impeller, Turbulence model.

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