Search results for: Thermal protection

Authors: Gheorghe Romanescu, IonuŃ V. Jora, Cristian Constantin Stoleriu

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The influence of human activities produced by dams along the river beds is minor, but the location of accumulation of water directly influences the hydrological regime. The most important effect of the influence of damming on the way water flows decreases the frequency of floods. The water rate controls the water flow of the dams. These natural reservoirs become dysfunctional and, as a result, a new distribution of flow in the downstream sector, where maximum flow is, brings about, in this case, higher values. In addition to fishing, middle and lower courses of rivers located by accumulation also have a role in mitigating flood waves, thus providing flood protection. The Vaslui also ensures a good part of the needs of the town water supply. The most important lake is Solesti, close to the Vaslui River, opened in 1974. A hydrological regime of accumulation is related to an anthropogenic and natural drainage system. The design conditions and their manoeuvres drain or fill the water courses.

Keywords: Hydraulic works, hydrological regime, average flow, repeat flow.

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Authors: Amir Gandomkar

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Kish Islands in South of Iran is located in coastal water near Hormozgan Province. Based on the wind 3-hour statistics in Kish station, the mean annual windspeed in this Island is 8.6 knot (4.3 m/s). The maximum windspeed recorded in this stations 47 knot (23.5 m/s). In 45.7 percent of recorded times, windspeed has been Zero or less than 8 knot which is not suitable to use the wind energy. But in 54.3 percent of recorded times, windspeed has been more than 8 knot and suitable to use wind energy to run turbines. In 40.2 percent of recorded times, windspeed has been between 8 to 16 knot, in 13 percent of times between 16 to 24 knot and in 1 percent of times it has been higher than 24 knot. In this station, the direction of winds higher than 8 is west and wind direction in Kish station is stable in most times of the year.With regard to high – speed and stable direction winds during the year and also shallow coasts near this is land, it is possible to build offshore wind farms near Kish Island and utilize wind energy produce the electricity required in this Island during most of the year.

Keywords: Kish Island, Wind energy, Offshore wind farm, Windspeed, Wind direction

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Authors: I. Brandys, M. Levy, K. Harush, Y. Haim, M. Korngold

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Theoretical optimization of a copper-water negative inclination heat pipe with internal composite wick structure had been performed, regarding a new introduced parameter: the ratio between the coarse mesh wraps and the fine mesh wraps of the composite wick. Since in many cases, the design of a heat pipe matches specific thermal requirements and physical limitations, this work demonstrates the optimization of a 1m length, 8mm internal diameter heat pipe without an adiabatic section, at a negative inclination angle of -10º. The optimization is based on a new introduced parameter, LR: the ratio between the coarse mesh wraps and the fine mesh wraps.

Keywords: Heat pipe, inclination, optimization, ratio.

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Authors: Huei Chu Weng, Chien-Hung Liu

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This paper presents a study on the effect of second-order slip and jump on forced convection through a long isothermally heated or cooled planar microchannel. The fully developed solutions of thermal flow fields are analytically obtained on the basis of the second-order Maxwell-Burnett slip and Smoluchowski jump boundary conditions. Results reveal that the second-order term in the Karniadakis slip boundary condition is found to contribute a negative velocity slip and then to lead to a higher pressure drop as well as a higher fluid temperature for the heated-wall case or to a lower fluid temperature for the cooled-wall case. These findings are contrary to predictions made by the Deissler model. In addition, the role of second-order slip becomes more significant when the Knudsen number increases.

Keywords: Microfluidics, forced convection, gas rarefaction, second-order boundary conditions.

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Authors: Baghdasaryan Marinka

Abstract:

The current scientific and engineering interest concerning the problems of preventing the emergency manifestations of drive synchronous motors, ensuring the ore grinding technological process has been justified. The analysis of the known works devoted to the abnormal operation modes of synchronous motors and possibilities of protection against them, has shown that their application is inexpedient for preventing the impermissible displays arising in the electrical drive synchronous motors ensuring the ore-grinding process. The main energy and technological factors affecting the technical condition of synchronous motors are evaluated. An algorithm for preventing the irregular operation modes of the electrical drive synchronous motor applied in the ore-grinding technological process has been developed and proposed for further application which gives an opportunity to provide smart solutions, ensuring the safe operation of the drive synchronous motor by a comprehensive consideration of the energy and technological factors.

Keywords: Synchronous motor, abnormal operating mode, electric drive, algorithm, energy factor, technological factor.

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Authors: Ashutosh Kumar Rai, Naveen Kumar, Bhupendra Singh Chauhan

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Increased energy demand and the concern about environment friendly technology, renewable bio-fuels are better alternative to petroleum products. In the present study linseed oil was used as alternative source for diesel engine fuel and the results were compared with baseline data of neat diesel. Performance parameters such as brake thermal efficiency (BTE) and brake specific fuel consumption (BSFC) and emissions parameters such as CO, unburned hydro carbon (UBHC), NOx, CO2 and exhaust temperature were compared. BTE of the engine was lower and BSFC was higher when the engine was fueled with Linseed oil compared to diesel fuel. Emission characteristics are better than diesel fuel. NOx formation by using linseed oil during the experiment was lower than diesel fuel. Linseed oil is non edible oil, so it can be used as an extender of diesel fuel energy source for small and medium energy needs.

Keywords: Bio-fuel, exhaust emission, linseed oil, triglyceride.

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Authors: Ion Smeureanu, Adriana Reveiu, Marian Dardala, Titus Felix Furtuna, Roman Kanala

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This paper proposes a linear model for optimizing domestic energy consumption in Romania. The particularity of the model is that it is putting in competition both tangible technologies and thermal insulation projects with different financing modes. The model is optimizing the energy system by minimizing the global discounted cost in household sector, by integrating residential lighting, space heating, hot water, combined space heating – hot water, as well as space cooling, in a monolithic model. Another demand sector included is the passenger transport. This paper focuses on space heating part, analyzing technical and economic issues related to investment decisions to envelope and insulate buildings, in order to minimize energy consumption.

Keywords: Consumer behavior, energy modelling, Open Source Energy Modeling System (OSeMOSYS), MARKAL/TIMES Romanian energy model.

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Authors: Moustafa Osman Mohamed

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This paper will explore the influence of energy sector in Arab Republic of Egypt which has shared its responsibilities of many environmental challenges as the second largest economy in the Middle East (after Iran). Air and water pollution, desertification, inadequate disposal of solid waste and damage to coral reefs are serious problems that influence environmental management in Egypt. The intensive reliance of high population density and strong industrial growth are wearing Egypt's resources, and the rapidly-growing population has forced Egypt to breakdown agricultural land to residential and relevant use of commercial ingestion. The depletion effects of natural resources impose the government to apply innovation techniques in emission control and focus on sustainability. The cogeneration will be presented to control thermal losses and increase efficiency of energy power system.

Keywords: Cogeneration, energy indicators, power plant, electricity, environmental loads, environmental impact assessment.

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Authors: Teewin Plangsrinont, Wasawat Nakkiew

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In this study, Computational Fluid Dynamics (CFD) was utilized to simulate and predict the path of water from water soot blower through an ambient flow field in 300-megawatt tangentially burned pulverized coal boiler that utilizes a water soot blower as a cleaning device. To predict the position of the impact of water on the opposite side of the water soot blower under identical conditions, the nozzle size and water flow rate were fixed in this investigation. The simulation findings demonstrated a high degree of accuracy in predicting the direction of water flow to the boiler's water wall tube, which was validated by comparison to experimental data. Results show maximum deviation value of the water jet trajectory is 10.2%.

Keywords: Computational fluid dynamics, tangentially fired boiler, thermal power plant, water soot blower.

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Authors: K. Arunachalam, P. Mannar Jawahar

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Presently, engine cooling pump is driven by toothed belt. Therefore, the pump speed is dependent on engine speed which varies their output. At normal engine operating conditions (Higher RPM and low load, Higher RPM and high load), mechanical water pumps in existing engines are inevitably oversized and so the use of an electric water pump together with state-of-the-art thermal management of the combustion engine has measurable advantages. Demand-driven cooling, particularly in the cold-start phase, saves fuel (approx 3 percent) and leads to a corresponding reduction in emissions. The lack of dependence on a mechanical drive also results in considerable flexibility in component packaging within the engine compartment. This paper describes the testing and comparison of existing mechanical water pump with that of the electric water pump. When the existing mechanical water pump is replaced with the new electric water pump the percentage gain in system efficiency is also discussed.

Keywords: Cooling system, Electric water pump, Mechanical water pump.

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Authors: M. I. Mohd Hafizal, Y. Hiroshi, T. Goto

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There-s a lack in understanding the indoor climate of Malaysian residential. The assumption of traditional house could provide the best indoor environment is too good to be true. This research is to understand indoor environment in three types of Malaysian residential and thermo recorder TR72Ui were placed in indoor spaces for measurement. There are huge differences of indoor environment between housing types, and building material helps to control indoor climate. Traditional house indoor climate was similar to the outdoor. Temperature in the bedroom of terrace and town houses were slightly higher than the living room. Indoor temperature was 2oC lower in the rainy season than the hot season. It was hard to control indoor humidity level in traditional house compared with terrace and town house. As for conclusion, town house provides the best thermal environment to the building occupants and can be improved with good roof insulation.

Keywords: Indoor environment, residential, temperature.

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Authors: Mohammad Saraj Sharifzai, Keisuke Kitagawa, Mohammad Kamil Halimee, Javid Habib, Daishi Sakaguchi

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The purpose of this research is to upgrade a pleasing, sustainable and safe shelter in the Afghan urban community. It also aims to maintain traditional housing, which is fitted to its environment, while attempting to upgrade it with new, traditional standards. The three main objectives of this study are to upgrade the traditional courtyard house to become safe and sustainable today and tomorrow; to fit the contemporary house environmentally and culturally, and to suppress or reduce the broad gap between traditional and contemporary housing. The paper tries to exhibit and analyze the sustainably best practices available in both traditional and contemporary courtyard housing in Afghanistan. For instance, the use of thick walls and Tawa-Khana (floor heating system) shows the best sustainable practice in that context.

Keywords: Afghan Traditional Courtyard Housing (ATCH), Afghan Contemporary Courtyard Housing (ACCH), suitability planning, affordable and thermal comfort.

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Authors: Koo-Yeon Kim, Eun-Hye Kim, Tae-Il Son

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Epidermal Growth Factor (EGF, Mw=6,045) has been reported to have high efficiency of wound repair and anti-wrinkle effect. However, the half-life of EGF in the body is too short to exert the biological activity effectively when applied in free form. Growth Factors can be stabilized by immobilization with carbohydrates from thermal and proteolytic degradation. Low molecular weight chitosan (LMCS) and its derivate prepared by hydrogen peroxide has high solubility. LM6A6DC was successfully prepared as a reactive carbohydrate for the stabilization of EGF by the reactions of LMCS with alkalization, tosylation, azidation and reduction. The structure of LM6A6DC was confirmed by FT-IR, 1H NMR and elementary analysis. For enhancing the stability of free EGF, EGF was attached with LM6A6DC by using water-soluble carbodiimide. EGF-LM6A6DC conjugates did not show any cytotoxicity on the Normal Human Dermal Fibroblast (NHDF) 3T3 proliferation at least under 100 μg/ml. In the result, it was considered that LM6A6DC is suitable to immobilize of growth factor.

Keywords: Epidermal growth factor (EGF), low-molecular-weight chitosan, immobilization.

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Authors: H. A. Taner, V. Önen

Abstract:

In the thermal power plants established to meet the energy need, lignite with low calorie and high ash content is used. Burning of these coals results in wastes such as fly ash, slag and flue gas. This constitutes a significant economic and environmental problems. However, fly ash can find evaluation opportunities in various sectors. In this study, the effectiveness of fly ash on suspended solid removal from marble processing wastewater containing high concentration of suspended solids was examined. Experiments were carried out for two different suspensions, marble and travertine. In the experiments, FeCl₃, Al₂(SO₄)₃ and anionic polymer A130 were used also to compare with fly ash. Coagulant/flocculant type/dosage, mixing time/speed and pH were the experimental parameters. The performances in the experimental studies were assessed with the change in the interface height during sedimentation resultant and turbidity values of treated water. The highest sedimentation efficiency was achieved with anionic flocculant. However, it was determined that fly ash can be used instead of FeCl₃ and Al₂(SO₄)₃ in the travertine plant as a coagulant.

Keywords: Dewatering, flocculant, fly ash, marble plant waste water.

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Authors: D. Subedi, D. Sharma

Abstract:

Current transformers (CTs) are used to transform large primary currents to a small secondary current. Since most standard equipment’s are not designed to handle large primary currents the CTs have an important part in any electrical system for the purpose of Metering and Protection both of which are integral in Power system. Now a days due to advancement in solid state technology, the operation times of the protective relays have come to a few cycles from few seconds. Thus, in such a scenario it becomes important to study the transient response of the current transformers as it will play a vital role in the operating of the protective devices.

This paper shows the steady state and transient behavior of current transformers and how it changes with change in connected burden. The transient and steady state response will be captured using the data acquisition software LabVIEW. Analysis is done on the real time data gathered using LabVIEW. Variation of current transformer characteristics with changes in burden will be discussed.

Keywords: Accuracy, Accuracy limiting factor, Burden, Current Transformer, Instrument Security factor.

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Authors: N. Khomarloo, F. Mousazadegan, M. Latifi, N. Hemmatinejad

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Recently, the utilization of reusable surgical gowns in order to decrease costs, environmental protection and enhance surgeon’s comfort is considered. One of the concerns in applying this kind of medical protective clothing is reduction of their resistance to bacterial penetration especially in wet state, after repeated laundering and sterilizing process. The purpose of this study is to investigate the effect of the laundering and sterilizing process on the reusable surgical gown’s resistance against bacterial wet penetration. To this end, penetration of Staphylococcus aureus bacteria in wet state after 70 washing and sterilizing cycles was evaluated on the two single-layer and three-layer reusable gowns. The outcomes reveal that up to 20 laundering and sterilizing cycles, protective property of samples improves due to fabric shrinkage, after that because of the fabric’s construction opening, the bacterial penetration increase. However, the three-layer gown presents higher protective performance comparing to the single-layer one.

Keywords: Reusable surgical gown, laundry, sterilization, wet bacterial penetration.

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Authors: Jawad Makki, Anne-Marie Alquier, Violaine Prince

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In this paper we propose an NLP-based method for Ontology Population from texts and apply it to semi automatic instantiate a Generic Knowledge Base (Generic Domain Ontology) in the risk management domain. The approach is semi-automatic and uses a domain expert intervention for validation. The proposed approach relies on a set of Instances Recognition Rules based on syntactic structures, and on the predicative power of verbs in the instantiation process. It is not domain dependent since it heavily relies on linguistic knowledge. A description of an experiment performed on a part of the ontology of the PRIMA1 project (supported by the European community) is given. A first validation of the method is done by populating this ontology with Chemical Fact Sheets from Environmental Protection Agency2. The results of this experiment complete the paper and support the hypothesis that relying on the predicative power of verbs in the instantiation process improves the performance.

Keywords: Information Extraction, Instance Recognition Rules, Ontology Population, Risk Management, Semantic analysis.

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Authors: Mohammad Reza Ghasemi, Ali Ehsani

Abstract:

In this paper, the optimum weight and cost of a laminated composite plate is seeked, while it undergoes the heaviest load prior to a complete failure. Various failure criteria are defined for such structures in the literature. In this work, the Tsai-Hill theory is used as the failure criterion. The theory of analysis was based on the Classical Lamination Theory (CLT). A newly type of Genetic Algorithm (GA) as an optimization technique with a direct use of real variables was employed. Yet, since the optimization via GAs is a long process, and the major time is consumed through the analysis, Radial Basis Function Neural Networks (RBFNN) was employed in predicting the output from the analysis. Thus, the process of optimization will be carried out through a hybrid neuro-GA environment, and the procedure will be carried out until a predicted optimum solution is achieved.

Keywords: Composite Laminates, GA, Multi-objectiveOptimization, Neural Networks, RBFNN.

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Authors: J. R. Wang, W.Y. Li, H.T. Lin, J.H. Yang, C. Shih, S.W. Chen

Abstract:

Fuel rod analysis program transient (FRAPTRAN)  code was used to study the fuel rod performance during a postulated  large break loss of coolant accident (LBLOCA) in Maanshan nuclear  power plant (NPP). Previous transient results from thermal hydraulic  code, TRACE, with the same LBLOCA scenario, were used as input  boundary conditions for FRAPTRAN. The simulation results showed  that the peak cladding temperatures and the fuel centerline  temperatures were all below the 10CFR50.46 LOCA criteria. In  addition, the maximum hoop stress was 18 MPa and the oxide  thickness was 0.003mm for the present simulation cases, which are all  within the safety operation ranges. The present study confirms that this  analysis method, the FRAPTRAN code combined with TRACE, is an  appropriate approach to predict the fuel integrity under LBLOCA with  operational ECCS.

 

Keywords: —FRAPTRAN, TRACE, LOCA, PWR.

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Authors: Daniela Ocipova, Zuzana Vranayova, Ondrej Sikula

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Safe drinking water is one of the biggest issues facing the planet this century. The primary aim of this paper is to present our research focused on theoretical and experimental analysis of potable water and in-building water distribution systems from the point of view of microbiological risk on the basis of confrontation between the theoretical analysis and synthesis of gathered information in conditions of the Slovak Republic. The presence of the bacteria Legionella in water systems, especially in hot water distribution system, represents in terms of health protection of inhabitants the crucial problem which cannot be overlooked. Legionella pneumophila discovery, its classification and its influence on installations inside buildings are relatively new. There are a lot of guidelines and regulations developed in many individual countries for the design, operation and maintenance for tap water systems to avoid the growth of bacteria Legionella pneumophila, but in Slovakia we don-t have any. The goal of this paper is to show the necessity of prevention and regulations for installations inside buildings verified by simulation methods.

Keywords: Legionella pneumophila, water temperature, distribution system, risk analysis, simulations.

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Authors: Bianca A. Szasz, Keiichi Okuyama

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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: Elham Zamiri

Abstract:

In this research, we have focused on numeral simulation of a fuel rod in order to examine distribution of heat temperature in components of fuel rod by Fluent software by providing steady state, single phase fluid flow, frequency heat flux in a fuel rod in nuclear reactor to numeral simulation. Results of examining different layers of a fuel rod consist of fuel layer, gap, pod, and fluid cooling flow, also examining thermal properties and fluids such as heat transition rate and pressure drop. The obtained results through analytical method and results of other sources have been compared and have appropriate correspondence. Results show that using heavy water as cooling fluid along with few layers of gas and pod have the ability of reducing the temperature from above 300 ^◦C to 70 ^◦C. This investigation is developable for any geometry and material used in the nuclear reactor.

Keywords: Nuclear fuel fission, numberal simulation, fuel rod, reactor, fluent software.

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Authors: A. Ghafouri, N. Pourmahmoud, I. Mirzaee

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In this numerical study, effects of using Al2O3-water nanofluid on the rate of heat transfer have been investigated. Physical model is a square enclosure with insulated top and bottom horizontal walls, while the vertical walls are kept at different constant temperatures. Two appropriate models are used to evaluate the viscosity and thermal conductivity of nanofluid. The governing stream-vorticity equations are solved using a second order central finite difference scheme, coupled to the conservation of mass and energy. The study has been carried out for the nanoparticle diameter 30, 60 and 90 nm and the solid volume fraction 0 to 0.04. Results are presented by average Nusselt number and normalized Nusselt number in different range of φ and D for mixed convection dominated regime. It is found that different heat transfer rate is predicted when the effect of nanoparticle diameter is taken into account.

Keywords: Nano-fluid, nanoparticle diameter, heat transfer enhancement, square enclosure, Nusselt number.

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Authors: Ramin Yousefi, Muhamad. Rasat. Muhamad

Abstract:

We investigated a modified thermal evaporation method in the growth process of ZnO nanowires. ZnO nanowires were fabricated on p-type silicon substrates without using a metal catalyst. A simple horizontal double-tube system along with chemical vapor diffusion of the precursor was used to grow the ZnO nanowires. The substrates were placed in different temperature zones, and ZnO nanowires with different diameters were obtained for the different substrate temperatures. In addition to the nanowires, ZnO microdiscs with different diameters were obtained on another substrate, which was placed at a lower temperature than the other substrates. The optical properties and crystalline quality of the ZnO nanowires and microdiscs were characterized by room temperature photoluminescence (PL) and Raman spectrometers. The PL and Raman studies demonstrated that the ZnO nanowires and microdiscs grown using such set-up had good crystallinity with excellent optical properties. Rectifying behavior of ZnO/Si heterostructures was characterized by a simple DC circuit.

Keywords: ZnO nano and microstructures, Photoluminescence, Raman, Rectifying behavior.

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Authors: G.Anjali, M.Bhavya, N.Arvind Kumar

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In order to avoid the potentially devastating consequences of global warming and climate change, the carbon dioxide “CO2" emissions caused due to anthropogenic activities must be reduced considerably. This paper presents the first study examining the feasibility of carbon sequestration in construction and demolition “C&D" waste. Experiments were carried out in a self fabricated Batch Reactor at 40ºC, relative humidity of 50-70%, and flow rate of CO2 at 10L/min for 1 hour for water-to-solids ratio of 0.2 to 1.2. The effect of surface area was found by comparing the theoretical extent of carbonation of two different sieve sizes (0.3mm and 2.36mm) of C&D waste. A 38.44% of the theoretical extent of carbonation equating to 4% CO2 sequestration extent was obtained for C&D waste sample for 0.3mm sieve size. Qualitative, quantitative and morphological analyses were done to validate carbonate formation using X-ray diffraction “X.R.D.," thermal gravimetric analysis “T.G.A., “X-Ray Fluorescence Spectroscopy “X.R.F.," and scanning electron microscopy “S.E.M".

Keywords: Alkaline waste, construction and demolition waste, CO2 sequestration, mineral carbonation.

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Authors: Nidal H. Abu-Zahra, Mahmoud Algazzar

Abstract:

In this research, n-dodecylthiol was added to P3HT/ PC70BM polymer solar cells to improve the crystallinity of P3HT and enhance the phase separation of P3HT/PC70BM. The improved crystallinity of P3HT:PC70BM doped with 0-5% by volume of n-dodecylthiol resulted in improving the power conversion efficiency of polymer solar cells by 33%. In addition, thermal annealing of the P3HT/PC70MB/n-dodecylthiolcompound showed further improvement in crystallinity with n-dodecylthiol concentration up to 2%. The highest power conversion efficiency of 3.21% was achieved with polymer crystallites size L of 11.2nm, after annealing at 150°C for 30 minutes under a vacuum atmosphere. The smaller crystallite size suggests a shorter path of the charge carriers between P3HT backbones, which could be beneficial to getting a higher short circuit current in the devices made with the additive. 

Keywords: n-dodecylthiol, Congugated PSC, P3HT/PCBM, Polymer Solar Cells.

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Authors: Wang Jing, Tao Tao, Li Xiyuan, Pei Yifei

Abstract:

How to simulate experimentally the air flow and heat transfer under microgravity on the ground is important, which has not been completely solved so far. Influence of gravity on air natural convection results in convection heat transfer on ground difference from that on orbit. In order to obtain air temperature and velocity deviations of manned spacecraft during terrestrial thermal test, dimensionless number analysis and numerical simulation analysis are performed. The calculated temperature distribution and velocity distribution of the horizontal test cases are compared to the vertical cases. The results show that the influence of gravity is neglected for facility drawer racks and more obvious for vertical cabins.

Keywords: Gravity, Convection heat transfer, Manned spacecraft, Dimensionless number, Numerical simulation

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Authors: Salem El-tohami Ashoor

Abstract:

A novel new vanadium (IV) complexes incorporating the chelating diamido cyclopentadienyl {ArN(CH₂)₃NAr)}^2-((ηⁿ-Cp)Cp)} (Ar = 2,6-Prⁱ₂C₆H₃)(Cp = C₅H₅ and n = 1,2,3,4 and 5) have been studied with calculation of the properties of species involved in various of cyclopentadienyl reaction. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP (Becke) (Lee–Yang–Parr) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions.

The optimised of [V(ArN(CH₂)₃NAr)₂Cl(η⁵-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) was found to be thermally more stable than others of vanadium cyclopentadienyl. In the meantime the complex [V(ArN(CH₂)₃NAr)₂Cl(η¹-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) which is showed a low thermal stability in case of the just one carbon of cyclopentadienyl can be insertion with vanadium metal centre. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Vanadium(IV) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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Authors: A. S. Kipcak, P. Gurses, E. Moroydor Derun, S. Piskin

Abstract:

Borate minerals have attracted considerable attention in the past years due to their structural chemistry and mechanical properties in several industries. Recently, increasing attention has been paid to the use of; synthetically produced magnesium borates as catalysts reinforcing material for plastics, the conversion of hydrocarbons, electro-conductive treating agent, anti-wear and anti-corrosion materials. Magnesium borates can be synthesized by several methods such as; hydrothermal and solid-state (thermal) processes. In this study the hydrothermal production method was applied at the modest temperature of 80C along with convenient crystal growth. Using MgCl2.6H2O, H3BO3, and NaOH as starting materials, 30, 60, 120, 240 minutes of reaction times were studied. After all, the crystal structure and the morphology of the products were examined by X-Ray Diffraction (XRD) and Fourier Transform Infrared Spectroscopy (FT-IR). As a result the forms of Admontite and Mcallisterite minerals were synthesized.

Keywords: FT-IR, hydrothermal method, magnesium borates, XRD.

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Authors: Kolay P. K., Singh H.

Abstract:

The coal utilization in thermal power plants in Malaysia has increased significantly which produces an enormous amount of coal combustion by-product (CCBP) or coal ash and poses severe disposal problem. As each coal ash is distinct, this study presents the geochemistry of the coal ash, in particular fly ash, produced from the combustion of local coal from Kuching Sarawak, Malaysia. The geochemical composition of the ash showed a high amount of silica, alumina, iron oxides and alkalies which was found to be a convenient starting material for the hydrothermal synthesis of zeolites with the higher Na₂O percentage being a positive factor for its alkaline activation; while the mineral phases are mainly quartz, mullite, calcium oxide, silica, and iron oxide hydrate. The geochemical changes upon alkali activation that can be predicted in a similar type of ash have been described in this paper. The result shows that this particular ash has a good potential for a high value industrial product like zeolites upon alkali activation.

Keywords: Coal ash, chemical composition, mineralogical composition, alkali activation, SEM.

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