Search results for: heat stable salt

Authors: Derya Burcu Ozkan, Onur Kiziler, Duriye Bilge

Abstract:

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: Bakhtiar Ul Haq, R. Ahmed, A. Shaari, Mazmira Binti Mohamed, Nisar Ali

Abstract:

The capability of exploiting the electronic charge and spin properties simultaneously in a single material has made diluted magnetic semiconductors (DMS) remarkable in the field of spintronics. We report the designing of DMS based on zinc-blend ZnO doped with Cr impurity. The full potential linearized augmented plane wave plus local orbital FP-L(APW+lo) method in density functional theory (DFT) has been adapted to carry out these investigations. For treatment of exchange and correlation energy, generalized gradient approximations have been used. Introducing Cr atoms in the matrix of ZnO has induced strong magnetic moment with ferromagnetic ordering at stable ground state. Cr:ZnO was found to favor the short range magnetic interaction that reflect tendency of Cr clustering. The electronic structure of ZnO is strongly influenced in the presence of Cr impurity atoms where impurity bands appear in the band gap.

Keywords: ZnO, Density functional theory, Diluted magnetic semiconductors, Ferromagnetic materials, FP-L(APW+lo).

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Authors: N. Dahbi, D-E. Arafah

Abstract:

The effect of chemical treatment in CdCl2 and thermal annealing in 400°C, on the defect structures of potentially useful ZnS\CdS solar cell thin films deposited onto quartz substrate and prepared by vacuum deposition method was studied using the Thermoluminesence (TL) techniques. A series of electron and hole traps are found in the various deposited samples studied. After annealing, however, it was observed that the intensity and activation energy of TL signal increases with loss of the low temperature electron traps.

Keywords: CdS, chemical treatment, heat treatment, Thermoluminescence, trapping parameters, thin film, vacuumdeposition, ZnS

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Authors: Anuj Kumar Sharma, Amit Sharma, Kulbhushan Agnihotri

Abstract:

In this paper, a delayed plankton-nutrient interaction model consisting of phytoplankton, zooplankton and dissolved nutrient is considered. It is assumed that some species of phytoplankton releases toxin (known as toxin producing phytoplankton (TPP)) which is harmful for zooplankton growth and this toxin releasing process follows a discrete time variation. Using delay as bifurcation parameter, the stability of interior equilibrium point is investigated and it is shown that time delay can destabilize the otherwise stable non-zero equilibrium state by inducing Hopf-bifurcation when it crosses a certain threshold value. Explicit results are derived for stability and direction of the bifurcating periodic solution by using normal form theory and center manifold arguments. Finally, outcomes of the system are validated through numerical simulations.

Keywords: Plankton, Time delay, Hopf-bifurcation, Normal form theory, Center manifold theorem.

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Authors: Mohammad Reza Pirestani, Mehdi Shafaghati, Amir Ahmad Dehghani

Abstract:

From the beginning of creation, human being has ever fought against the ecosystem by changes has made in environment. The most environmental changes on the nature have been done after starting the concentrated life in the same region. Dams are one of the most important buildings in water resources and transferring. These buildings have been made from old times without access to hydrological, hydraulically, hydro mechanical information. Dams have positive and negative effects on environment. Constructing a dam relatively causes equal ecological consequences. According to different criteria, environmental effects of dams can lead short term and long term damages. These effects may influence on the situation and treatment of meteorology, biology, culture, ancient works, etc and severely causes to change and complicate it. So considering importance of positive effects of dam construction, it is necessary to minimize negative environmental effects of dams to achieve a stable development. In this article the considered effects and their solutions in influencing on assessment of destructive environmental effects of dams construction have been surveyed and presented.

Keywords: Dam, Environment, Water Resources, Assessment

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Authors: Weixin Qian, Haitao Zhang, Hongfang Ma, Yongdi Liu, Weiyong Ying, Dingye Fang

Abstract:

The adsorption properties of CO and H2 on iron-based catalyst with addition of Zr and Ni were investigated using temperature programmed desorption process. It was found that on the carburized iron-based catalysts, molecular state and dissociative state CO existed together. The addition of Zr was preferential for the molecular state adsorption of CO on iron-based catalyst and the presence of Ni was beneficial to the dissociative adsorption of CO. On H2 reduced catalysts, hydrogen mainly adsorbs on the surface iron sites and surface oxide sites. On CO reduced catalysts, hydrogen probably existed as the most stable CH and OH species. The addition of Zr was not benefit to the dissociative adsorption of hydrogen on iron-based catalyst and the presence of Ni was preferential for the dissociative adsorption of hydrogen.

Keywords: adsorption, Fischer-Tropsch synthesis, iron-based catalysts

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Authors: Oday I. Abdullah, J. Schlattmann

Abstract:

In this study, the two dimensional heat conduction problem for the dry friction clutch disc is modeled mathematically analysis and is solved numerically using finite element method, to determine the temperature field when band contacts occurs between the rubbing surfaces during the operation of an automotive clutch. Temperature calculation have been made for contact area of different band width and the results obtained compared with these attained when complete contact occurs. Furthermore, the effects of slipping time and sliding velocity function are investigated as well. Both single and repeated engagements made at regular interval are considered.

Keywords: Band contact, dry friction clutch, frictional heating, temperature field, 2D FEM.

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Authors: Pawel Glibowski, Agnieszka Glibowska

Abstract:

The rheological properties, structure and potential synergistic interactions of whey proteins (1-6%) and inulin (20%) in mixed gels in the presence of CaCl2 was the aim of this study. Whey proteins have a strong influence on inulin gel formation. At low concentrations (2%) whey proteins did not impair in inulin gel formation. At higher concentration (4%) whey proteins impaired inulin gelation and inulin impaired the formation of a Ca2+-induced whey protein network. The presence of whey proteins at a level allowing for protein gel network formation (6%) significantly increased the rheological parameters values of the gels. SEM micrographs showed that whey protein structure was coated by inulin moieties which could make the mixed gels firmer. The protein surface hydrophobicity measurements did not exclude synergistic interactions between inulin and whey proteins, however. The use of an electrophoretic technique did not show any stable inulin-whey protein complexes.

Keywords: gels, hydrophobicity, inulin, SEM, whey proteins.

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Authors: Madjid Meriem-Benziane, Hamou Zahloul

Abstract:

The rheological properties of light crude oil and its mixture with water were investigated experimentally. These rheological properties include steady flow behavior, yield stress, transient flow behavior, and viscoelastic behavior. A RheoStress RS600 rheometer was employed in all of the rheological examination tests. The light crude oil exhibits a Newtonian and for emulsion exhibits a non-Newtonian shear thinning behavior over the examined shear rate range of 0.1–120 s-1. In first time, a series of samples of crude oil from the Algerian Sahara has been tested and the results expressed in terms of τ=f(γ) have demonstrated their Newtonian character for the temperature included in [20°C, 70°C]. In second time and at T=20°C, the oil-water emulsions (30%, 50% and 70%) by volume of water), thermodynamically stable, have demonstrated a non-Newtonian rheological behavior that is to say, Herschel-Bulkley and Bingham types. For each type of crude oil-water emulsion, the rheological parameters are calculated by numerical treatment of results.

Keywords: Crude oil Algerian, Emulsion, Newtonian, Non- Newtonian, viscosity.

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Authors: C. Ardil

Abstract:

A mathematical model and an effective numerical method for calculating the temperature field of the profile part of convection cooled blades have been developed. The theoretical substantiation of the method is proved by corresponding theorems. To this end, convergent quadrature processes were developed and error estimates were obtained in terms of the Zygmund continuity moduli.The boundary conditions for heat exchange are determined from the solution of the corresponding integral equations and empirical relations.The reliability of the developed methods is confirmed by the calculation-experimental studies of the thermohydraulic characteristics of the nozzle apparatus of the first stage of a gas turbine.

Keywords: Integral methods, determination of temperature fields, cooled blades, gas turbines.

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Authors: S. Y. Choi, Y. H. Na, J. H. Kim

Abstract:

In this work, thermoelastic damping effect on the hemi- spherical shells is investigated. The material is selected silicon, and heat conduction equation for thermal flow is solved to obtain the temperature profile in which bending approximation with inextensional assumption of the model. Using the temperature profile, eigen-value analysis is performed to get the natural frequencies of hemispherical shells. Effects of mode numbers, radii and radial thicknesses of the model on the natural frequencies are analyzed in detail. Furthermore, the quality factor (Q-factor) is defined, and discussed for the ring and hemispherical shell.

Keywords: Thermoelastic damping, hemispherical shell, quality factor

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Authors: C. F. Ocoleanu, A. I. Dolan, G. Cividjian, S. Teodorescu

Abstract:

In this paper we make a temperature investigations in two type of superposed crimped connections using experimental determinations. All the samples use 8 copper wire 7.1 x 3 mm2 crimped by two methods: the first method uses one crimp indents and the second is a proposed method with two crimp indents. The ferrule is a parallel one. We study the influence of number and position of crimp indents. The samples are heated in A.C. current at different current values until steady state heating regime. After obtaining of temperature values, we compare them and present the conclusion.

Keywords: Crimped connections, experimental determinations, heat transfer temperature.

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Authors: A. M. Pashaev, R. A. Sadihov, A. S. Samedov, C. Ardil

Abstract:

A mathematical model and a numerical method for computing the temperature field of the profile part of convectionally cooled blades are developed. The theoretical substantiation of the method is proved by corresponding theorems. To this end, convergent quadrature processes were developed and error estimates were obtained in terms of the Zygmund continuity moduli. The boundary conditions for heat exchange are determined from the solution of the corresponding integral equations and empirical relations. The reliability of the developed methods is confirmed by calculation and experimental studies of the thermohydraulic characteristics of the nozzle apparatus of the first stage of the gas turbine.

Keywords: Aviation gas turbine, temperature field, cooled blades, numerical modeling.

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Authors: D. Elleuch, T. Damak

Abstract:

Performance control law is studied for an interconnected fractional nonlinear system. Applying a backstepping algorithm, a backstepping sliding mode controller (BSMC) is developed for fractional nonlinear system. To improve control law performance, BSMC is coupled to an adaptive sliding mode observer have a filtered error as a sliding surface. The both architecture performance is studied throughout the inverted pendulum mounted on a cart. Simulation result show that the BSMC coupled to an adaptive sliding mode observer have stable control law and eligible control amplitude than the BSMC.

Keywords: Backstepping sliding mode controller, interconnected fractional nonlinear system, adaptive sliding mode observer.

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Authors: Marc Veillette, Mostafa Chamoumi, Nathalie Faucheux, Michèle Heitz

Abstract:

Biodiesel is traditionally produced from oleaginous plants. On the other hand, increasing biodiesel production from these raw materials could create problems of food supply. Producing biodiesel from microalgae could help to overcome this difficulty, because microalgae are rich in lipids and do not compete for arable lands. However, no studies had compared vegetable and microalgae oil-based biodiesel in terms of yield, viscosity and heat of combustion. In the present study, commercial canola and microalgae oil were therefore transesterified with methanol under a homogenous alkali catalyst (potassium hydroxide) at 100oC for 1h. The result showed that microalgae-based oil has a higher yield in biodiesel with 89.7% (g biodiesel/g oil) and a lower kinematic viscosity (22oC) of 4.31 mm/s2 than canola oil.

Keywords: Biodiesel, microalgae, canola, alkalitransesterification

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Authors: Ugur Karakaya, Hasan Bulent Kantarcı

Abstract:

In this study, firstly democratic thoughts which directly or indirectly affect economic development and/or the interaction between authoritarian regimes and the economic development and the direction and channels of this interaction were studied and then the study tried to determine how democracy affects economic development. It was concluded that the positive contributions of democracy to economic development were more determinant than the effects that were either negative or restrictive in terms of development. When compared to autocracy, since democracy is more successful in managing social conflicts, ensuring political stability and preventing social disasters such as famine, it contributes more to economic development. Democracy also facilitates delegation of authority, provides a stable investment environment and accelerates mobilization of resources in accordance with economic growth/development. Democracy leads to an increase in human capital accumulation and increases the growth rate through reducing income inequality. It can be said that democratic regimes are the most appropriate ones in terms of increasing economic performance and supporting economic development through their strong institutional structures and the assurance they will ensure in property rights.

Keywords: Autocratic Regime, Democracy, Economic Development, Economic Freedom.

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Authors: Zoran Veršić, Josip Galić, Marin Binički, Lucija Stepinac

Abstract:

With the current increase in CO2 emissions and global warming, the sustainability of both existing and new solutions must be assessed on a wide scale. As the implementation of closed cavity façades (CCF) is on the rise, various factors must be included in the analysis of new types of CCF. This paper aims to cover the relevant factors included in the sustainability assessment of new types of CCF. Several mathematical models are being used to describe the physical behavior of CCF. Depending on the type of CCF, they cover the main factors which affect the durability of the façade: thermal behavior of various elements in the façade, stress and deflection of the glass panels, pressure and the moisture control in the cavity. CCF itself represents a complex system in which all mentioned factors must be considered mutually. Still, the façade is only an envelope of a more complex system, the building. Choice of the façade dictates the heat loss and the heat gain, thermal comfort of inner space, natural lighting, and ventilation. Annual energy consumption for heating, cooling, lighting, and maintenance costs will present the operational advantages or disadvantages of the chosen façade system in economic and environmental aspects. Still, the only operational viewpoint is not all-inclusive. As the building codes constantly demand higher energy efficiency as well as transfer to renewable energy sources, the ratio of embodied and lifetime operational energy footprint of buildings is changing. With the drop in operational energy CO2 emissions, embodied energy emissions present a larger and larger share in the lifecycle emissions of the building. Taking all into account, the sustainability assessment of a façade, as well as other major building elements, should include all mentioned factors during the lifecycle of an element. The challenge of such an approach is a timescale. Depending on the climatic conditions on the building site, the expected lifetime of a glazed façade can exceed 25 years. In such a timespan, some of the factors can be estimated more precisely than the others. However, the ones depending on the socio-economic conditions are more likely to be harder to predict than the natural ones like the climatic load. This work recognizes and summarizes the relevant factors needed for the assessment of a new type of CCF, considering the entire lifetime of a façade element in an environmental aspect.

Keywords: Assessment, closed cavity façade, life cycle, sustainability.

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Authors: J. Lebre, F. Brójo

Abstract:

Pollution emission levels of aircraft engines are a nowadays high concern. Any technological advance that could reduce emission levels is always welcome. In what concerns aircraft engines, a possible solution for this problem could be the use of regenerators and intercoolers. These components might reduce the specific fuel consumption, increase efficiency and specific thrust and consequently reduce the pollution levels of the engine. This is not a novel solution. These heat exchangers are already is use in stationary engines. For aircraft engines, the extra weight of the needed hardware could overcome the fuel saved. This work compares a conventional engine with configurations that use intercoolers and regenerators.

Keywords: Intercooler, pollution, regenerator, turbofan

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Authors: Mahdi Yaghobi, Mohammad Haeri

Abstract:

The current methods of predictive controllers are utilized for those processes in which the rate of output variations is not high. For such processes, therefore, stability can be achieved by implementing the constrained predictive controller or applying infinite prediction horizon. When the rate of the output growth is high (e.g. for unstable nonminimum phase process) the stabilization seems to be problematic. In order to avoid this, it is suggested to change the method in the way that: first, the prediction error growth should be decreased at the early stage of the prediction horizon, and second, the rate of the error variation should be penalized. The growth of the error is decreased through adjusting its weighting coefficients in the cost function. Reduction in the error variation is possible by adding the first order derivate of the error into the cost function. By studying different examples it is shown that using these two remedies together, the closed-loop stability of unstable nonminimum phase process can be achieved.

Keywords: GPC, Stability, Varying Weighting Coefficients.

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Authors: Z. Veselý, M. Honner

Abstract:

High power laser – total emissivity method (HPL-TE method) for determination of coatings relative total emissivity dependent on the temperature is introduced. Method principle, experimental and evaluation parts of the method are described. Computer model of HPL-TE method is employed to perform the sensitivity analysis of the effect of method parameters on the sample surface temperature in the positions where the surface temperature and radiation heat flux are measured.

Keywords: High temperature laser testing, measurement ofthermal properties, emissivity, coatings.

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Authors: A. Benmakhlouf, A. Bentabet

Abstract:

In this paper, we investigated the athermal pressure behavior of the structural and elastic properties of scheelite BaWO4 phase up to 7 GPa using the ab initio pseudo-potential method. The calculated lattice parameters pressure relation have been compared with the experimental values and found to be in good agreement with these results. Moreover, we present for the first time the investigation of the elastic properties of this compound using the density functional perturbation theory (DFPT). It is shown that this phase is mechanically stable up to 7 GPa after analyzing the calculated elastic constants. Other relevant quantities such as bulk modulus, pressure derivative of bulk modulus, shear modulus; Young’s modulus, Poisson’s ratio, anisotropy factors, Debye temperature and sound velocity have been calculated. The obtained results, which are reported for the first time to the best of the author’s knowledge, can facilitate assessment of possible applications of the title material.

Keywords: Pseudo-potential method, pressure, structural and elastic properties, scheelite BaWO4 phase.

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Authors: R. N. Rao, S. L. Tulasi Devi

Abstract:

Tribological behavior and wear regimes of ascast and heattreted Al-Cu-Mg matrix composites containing SiC particles were studied using a pin-on-disc wear testing apparatus against an EN32 steel counterface giving emphasis on wear rate as a function of applied pressures (0.2, 0.6, 1.0 and 1.4 MPa) at different sliding distances (1000, 2000, 3000, 4000 and 5000 meters) and at a fixed sliding speed of 3.35m/s. The results showed that the composite exhibited lower wear rate than that of the matrix alloy and the wear rate of the composites is noted to be invariant to the sliding distance and is reducing by heat treatment. Wear regimes such as low, mild and severe wear were observed as per the Archard-s wear calculations. It is very interesting to note that the mild wear is almost constant in all the wear regimes.

Keywords: Aluminum, matrix, regimes, wear.

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Authors: V. K. Bheemineni, B. Käfer, H. Lammer, M. Kotnik, F. O. Riemelmoser

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This paper concerns about the experimental and numerical investigations of energy absorption and axial tearing behaviour of aluminium 6060 circular thin walled tubes under static axial compression. The tubes are received in T66 heat treatment condition with fixed outer diameter of 42mm, thickness of 1.5mm and length of 120mm. The primary variables are the conical die angles (15°, 20° and 25°). Numerical simulations are carried on ANSYS/LS-DYNA software tool, for investigating the effect of friction between the tube and the die.

Keywords: Angled die, ANSYS/LS-DYNA, Axial tearing, Energy absorption.

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Authors: Z. Zarid, C. Gamba, A. Brusseaux, C. Laborie, K. Briens

Abstract:

Cooling with sound is a physical phenomenon allowed by Thermo-Acoustics in which acoustic energy is transformed into a negative heat transfer, in other words: into cooling! Without needing any harmful gas, the transformation is environmentally friendly and can respond to many needs in terms of air conditioning, food refrigeration for domestic use, and cooling medical samples for example. To explore the possibilities of this cooling solution on a small scale, the TACS prototype has been designed, consisting of a low cost thermoacoustic refrigerant “pipe” able to lower the temperature by a few degrees. The obtained results are providing an interesting element for possible future of thermo-acoustic refrigeration.

Keywords: Domestic Scale Cooling System, Thermoacoustic, Environmental Friendly Refrigeration.

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Authors: Munawar Khalil, Badrul Mohamed Jan, Abdul Aziz Abdul Raman

Abstract:

In the last decades, the problem of perforation damage has been considered as the major factor for the reduction of oil productivity. Underbalance perforation is considered as one of the best means to minimize or overcome this problem. By maintaining wellbore pressure lower than formation pressure, perforation damage could be minimize or eliminated. This can be achieved by the use of nontraditional lightweight completion fluid. This paper presents the effect of natural clay in formulating nontraditional completion fluid to ensure successful perforation job and increase of production rate. Natural clay is used as homogenizing agent to create a stable and non-damaging low-density completion fluid. Results indicate that the addition of natural clay dramatically increase the stability of the final fluids. In addition, field test has shown that the application of nontraditional completion fluid increases oil production by three folds.

Keywords: Completion fluid, underbalance, clay, oil production.

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Authors: L. Bouqbis, H.W. Koyro, M. C. Harrouni, S. Daoud, L. F. Z. Ainlhout, C. I. Kammann

Abstract:

The application of biochar to soils is becoming more and more common. Its application which is generally reported to improve the physical, chemical, and biological properties of soils, has an indirect effect on soil health and increased crop yields. However, many of the previous results are highly variable and dependent mainly on the initial soil properties, biochar characteristics, and production conditions. In this study, two biochars which are biochar II (BC II) derived from a blend of paper sludge and wheat husks and biochar 005 (BC 005) derived from sewage sludge with a KCl additive, are used, and the physical and chemical properties of BC II are characterized. To determine the potential impact of salt stress and toxic and volatile substances, the second part of this study focused on the effect biochars have on germination of salad (Lactuca sativa L.), barley (Hordeum vulgare), and cress (Lepidium sativum) respectively. Our results indicate that Biochar II showed some unique properties compared to the soil, such as high EC, high content of K, Na, Mg, and low content of heavy metals. Concerning salad and barley germination test, no negative effect of BC II and BC 005 was observed. However, a negative effect of BC 005 at 8% level was revealed. The test of the effect of volatile substances on germination of cress revealed a positive effect of BC II, while a negative effect was observed for BC 005. Moreover, the water holding capacities of biochar-sand mixtures increased with increasing biochar application. Collectively, BC II could be safely used for agriculture and could provide the potential for a better plant growth.

Keywords: Biochar, phytotoxic tests, seedlings growth, water holding capacity.

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Authors: S. Yessengabulov, A. Uyzbayeva

Abstract:

Residential buildings fund of Kazakhstan was built in the Soviet time about 35-60 years ago without considering energy efficiency measures. Currently, most of these buildings are in a rundown condition and fail to meet the minimum of hygienic, sanitary and comfortable living requirements. The paper aims to examine the reports of recent building energy survey activities in the country and provide a possible solution for retrofitting existing housing stock built before 1989 which could be applicable for building envelope in cold climate. Methodology also includes two-dimensional modeling of possible practical solutions and further recommendations.

Keywords: Energy audit, energy efficient buildings in Kazakhstan, retrofit, two-dimensional conduction heat transfer analysis

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Authors: Hamed Harrafi, Masoumeh Khedri, Karim Karaminejad

Abstract:

Measurement of the COD of a spent caustic solution involves firstly digestion of a test sample with dichromate solution and secondly measurement of dichromate remained by titration by ferrous ammonium sulfate [FAS] to an end point. In this paper we study by a potentiometric end point with Ag/AgCl reference electrode and gold rode electrode. The potentiometric end point is sharp and easily identified especially for the samples with high turbidity and color that other methods such as colorimetric in this type of sample do not result in high precision. Because interim of titration responds quickly to potential changes within the [Cr+6/Cr+3& Fe+2/Fe+3] solution producing stable readings that is lead to accurate COD measurement. Finally results are compared with data determined using colorimetric method for standard samples. It is shown that the potentiometric end point titration with gold rode electrode can be used with equal or better facility

Keywords: chemical oxygen demand, spent caustic and potentiometric determination

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Authors: Irakli V. Gugushvili, Nickolay M. Evstigneev

Abstract:

Numerical integration of initial boundary problem for advection equation in 3 ℜ is considered. The method used is  conditionally stable semi-Lagrangian advection scheme with high order interpolation on unstructured mesh. In order to increase time step integration the BFECC method with limiter TVD correction is used. The method is adopted on parallel graphic processor unit environment using NVIDIA CUDA and applied in Navier-Stokes solver. It is shown that the calculation on NVIDIA GeForce 8800  GPU is 184 times faster than on one processor AMDX2 4800+ CPU. The method is extended to the incompressible fluid dynamics solver. Flow over a Cylinder for 3D case is compared to the experimental data.

Keywords: Advection equations, CUDA technology, Flow overthe 3D Cylinder, Incompressible Pressure Projection Solver, Parallel computation.

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Authors: A. M. Gsiea, J. P. Goss, P. R. Briddon, Ramadan. M. Al-habashi, K. M. Etmimi, Khaled. A. S. Marghani

Abstract:

Using first-principles methods based on density functional theory and pseudopotentials, we have performed a details study of native defects in ZnO. Native point defects are unlikely to be cause of the unintentional n-type conductivity. Oxygen vacancies, which considered most often been invoked as shallow donors, have high formation energies in n-type ZnO, in edition are a deep donors. Zinc interstitials are shallow donors, with high formation energies in n-type ZnO, and thus unlikely to be responsible on their own for unintentional n-type conductivity under equilibrium conditions, as well as Zn antisites which have higher formation energies than zinc interstitials. Zinc vacancies are deep acceptors with low formation energies for n-type and in which case they will not play role in p-type coductivity of ZnO. Oxygen interstitials are stable in the form of electrically inactive split interstitials as well as deep acceptors at the octahedral interstitial site under n-type conditions. Our results may provide a guide to experimental studies of point defects in ZnO.

Keywords: DFT, Native, n-Type, ZnO.

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