Search results for: water treatment.

Authors: Saeed Vahidifar, Mohammad Nakhaee Sharif, Mohammad Ghaffari

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Few people would dispute the fact that one of the most common applications of energy is creating comfort in buildings, so it is probably true to say that management of energy consumption is required due to the environmental issues and increasing the efficiency of mechanical systems. From the geographical point of view, Iran is located in a warm and semi-arid region; therefore, air-cooled chillers are usually used for cooling residential buildings, commercial buildings, medical buildings, etc. In this study, a heat exchanger was designed for providing laundry hot water by utilizing condenser heat lost base on analytical results of a 540-bed hospital in the city of Mashhad in Iran. In this paper, by using the analytical method, energy consumption reduces about 13%, and coefficient of performance increases a bit. Results show that this method can help in the management of energy consumption a lot.

Keywords: Energy management, air-cooled chiller, heat exchanger, hospital laundry system.

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Authors: Boubekeur Dokkar, Nasreddine Chennouf, Noureddine Settou, Belkhir Negrou, Abdesslam Benmhidi

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The optimal operation of proton exchange membrane fuel cell (PEMFC) requires good water management which is presented under two forms vapor and liquid. Moreover, fuel cells have to reach higher output require integration of some accessories which need electrical power. In order to analyze fuel cells operation and different species transport phenomena a biphasic mathematical model is presented by governing equations set. The numerical solution of these conservation equations is calculated by Matlab program. A multi-criteria optimization with weighting between two opposite objectives is used to determine the compromise solutions between maximum output and minimal stack size. The obtained results are in good agreement with available literature data.

Keywords: Biphasic model, PEM fuel cell, optimization, simulation, specie transport.

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Authors: O. Zarrin, M. Ramezan Shirazi

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The quality of concrete is usually defined by compressive strength, but flexural strength is the most important characteristic of concrete in a pavement which control the mix design of concrete instead of compressive strength. Therefore, the aggregates which are selected for the pavements are affected by higher flexural strength. Roller Compacting Concrete Pavement (RCCP) is not a new construction method. The other characteristic of this method is no bleeding and less shrinkage due to the lower amount of water. For this purpose, a roller is needed for placing and compacting. The surface of RCCP is not smooth; therefore, the most common use of this pavement is in an industrial zone with slower traffic speed which requires durable and tough pavement. For preparing a smoother surface, it can be achieved by asphalt paver. RCCP decrease the finishing cost because there are no bars, formwork, and the lesser labor need for placing the concrete. In this paper, different aspect of RCCP such as mix design, flexural, compressive strength and focus on the different part of RCCP on detail have been investigated.

Keywords: Flexural Strength, Compressive Strength, Pavement, Asphalt.

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Authors: Kul Pun, F. A. Hamad, T. Ahmed, J. O. Ugwu, J. Eyers, G. Lawson, P. A. Russell

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Determining droplet size and distribution is essential when determining the separation efficiency of a two/three-phase separator. This paper investigates the effect of liquid flow and oil pad thickness on the droplet size at the lab scale. The findings show that increasing the inlet flow rates of the oil and water results in size reduction of the droplets and increasing the thickness of the oil pad increases the size of the droplets. The data were fitted with a simple Gaussian model, and the parameters of mean, standard deviation, and amplitude were determined. Trends have been obtained for the fitted parameters as a function of the Reynolds number, which suggest a way forward to better predict the starting parameters for population models when simulating separation using CFD packages. The key parameter to predict to fix the position of the Gaussian distribution was found to be the mean droplet size.

Keywords: Two-phase separator, average bubble droplet, bubble size distribution, liquid-liquid phase.

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Authors: Diky Mudhakir, Satrialdi, Sukmadjaja Asyarie, Yeyet C. Sumirtapura

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Today, cancer remains one of the major diseases that lead to death. The main obstacle in chemotherapy as a main cancer treatment is the toxicity to normal cells due to Multidrug Resistance (MDR) after the use of anticancer drugs. Proposed solution to overcome this problem is the use of MDR efflux inhibitor of cinchona alkaloids which is delivered together with anticancer drugs encapsulated in the form of polymeric nanoparticles. The particles were prepared by the hydration method. The characterization of nanoparticles was particle size, zeta potential, entrapment efficiency and in vitro drug release. Combination nanoparticle size ranged 29-45 nm with a neutral surface charge. Entrapment efficiency was above 87% for the use quinine, quinidine or cinchonidine in combination with etoposide. The release test results exhibited that the cinchona alkaloids release released faster than that of etoposide. Collectively, cinchona alkaloids can be packaged along with etoposide in nanomicelles for better cancer therapy.

Keywords: Cinchona alkaloids, etoposide, MDR efflux inhitor, polymeric nanomicelles.

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Authors: Srinath Shetty K., Shivashankar R., Rashmi P. Shetty

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Earth reinforcing techniques have become useful and economical to solve problems related to difficult grounds and provide satisfactory foundation performance. In this context, this paper uses radial basis function neural network (RBFNN) for predicting the bearing pressure of strip footing on reinforced granular bed overlying weak soil. The inputs for the neural network models included plate width, thickness of granular bed and number of layers of reinforcements, settlement ratio, water content, dry density, cohesion and angle of friction. The results indicated that RBFNN model exhibited more than 84 % prediction accuracy, thereby demonstrating its application in a geotechnical problem.

Keywords: Bearing pressure, granular bed, radial basis function neural network, strip footing.

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Authors: Fareeha A., Irfan Z Qureshi

Abstract:

Thrombosis can be life threatening, necessitating therefore its instant treatment. Hydergine, a nootropic agent is used as a cognition enhancer in stroke patients but relatively little is known about its anti-thrombolytic effect. To investigate this aspect, in vivo and ex vivo experiments were designed and conducted. Three groups of rats were injected 1.5mg, 3.0mg and 4.5mg hydergine intraperitonealy with and without prior exposure to fresh plasma. Positive and negative controls were run in parallel. Animals were sacrificed after 1.5hrs and BT, CT, PT, INR, APTT, plasma calcium levels were estimated. For ex vivo analyses, each 1ml blood aspirated was exposed to 0.1mg, 0.2mg, 0.3mg dose of hydergine with parallel controls. Parameters analyzed were as above. Statistical analysis was through one-way ANOVA. Dunken-s and Tukey-s tests provided intra-group variance. BT, CT, PT, INR and APTT increased while calcium levels dropped significantly (P<0.05). Ex vivo, CT, PT and APTT were elevated while plasma calcium levels lowered significantly (P<0.05). Our study suggests that hydergine may act as a thrombolytic agent but warrants further studies to elucidate this role of ergot mesylates.

Keywords: Hydergine, Coagulation assays, plasma calcium, ergot mesylates, thrombosis.

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Authors: Hsiao-Ming Chang, Jui-Liang Hsu

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The purpose of this study is to analyze the cognitive and travel experience the situation of the tourist attraction of the sport tourism in Penghu. This study used a questionnaires, the main island of Taiwan to Penghu in the way of marine sports tourists adopted the designated convenience sampling method, a total of 1447 valid questionnaires. After statistical analysis, this study found that: 1. Tourists to Penghu sports tourism attraction cognitive as “good air quality, suitable for water activities". 2. Tourists in Penghu's tourism experience, “Let me taste the delicious specialties and snacks". 3. The attraction of the sport tourism, travel experience and perceived value are correlated, and both the perceived value with a high degree of predictive ability. Based on the findings of this study not only for Penghu's tourism industry with the unit in charge of the proposed operating and suggestions for future research to other researchers.

Keywords: Sport tourism, travel experience, perceived value, sport attraction.

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Authors: Raisa Kh. Bolotnova, Marat N. Galimzianov, Andrey S. Topolnikov, Uliana O. Agisheva, Valeria A. Buzina

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The paper presents the results of theoretical and numerical modeling of propagation of shock waves in bubbly liquids related to nonlinear effects (realistic equation of state, chemical reactions, two-dimensional effects). On the basis on the Rankine- Hugoniot equations the problem of determination of parameters of passing and reflected shock waves in gas-liquid medium for isothermal, adiabatic and shock compression of the gas component is solved by using the wide-range equation of state of water in the analitic form. The phenomenon of shock wave intensification is investigated in the channel of variable cross section for the propagation of a shock wave in the liquid filled with bubbles containing chemically active gases. The results of modeling of the wave impulse impact on the solid wall covered with bubble layer are presented.

Keywords: bubbly liquid, cavitation, equation of state, shock wave

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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: Ahmed A. Hassan, Al-Ramadan Baqer

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Kenya Amboseli National Park hosts the largest elephant’s population in the country, protected and managed by the government under the Kenya Wildlife Service. The park has been experiencing highly organized poaching, in terms of both total elephant deaths and the level of sophistication employed by the poachers. The main objective of this study is to use GIS to map the entire park properly. GIS map of the park was produced including all leading roads, neighboring land use, main gates and water points with geographic co-ordinates well documented. The result obtained indicates the three main gates and the airport as the hotspot points that the tusks can be ferried out of the park. Therefore, this study recommends the government to put strong security measures on these areas. These procedures can lower the poaching threat and assist the game warders properly manage the endangered species.

Keywords: Elephants, GIS, poaching, Amboseli National Park.

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Authors: A. Rabin, G. Mazor, I. Ladizhenski, R. Z. Shneck

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The hardness and hardenability of AISI D2 cold work tool steel with conventional quenching (CQ), deep cryogenic quenching (DCQ) and rapid deep cryogenic quenching heat treatments caused by temporary porous coating based on magnesium sulfate was investigated. Each of the cooling processes was examined from the perspective of the full process efficiency, heat flux in the austenite-martensite transformation range followed by characterization of the temporary porous layer made of magnesium sulfate using confocal laser scanning microscopy (CLSM), surface and core hardness and hardenability using Vickers hardness technique. The results show that the cooling rate (CR) at the austenite-martensite transformation range has a high influence on the hardness of the studied steel.

Keywords: AISI D2, controllable cooling, magnesium sulfate coating, rapid cryogenic heat treatment, temporary porous layer.

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Authors: R. Rama Kishore, Sunesh

Abstract:

Nowadays, robust and secure watermarking algorithm and its optimization have been need of the hour. A watermarking algorithm is presented to achieve the copy right protection of the owner based on visual cryptography, histogram shape property and entropy. In this, both host image and watermark are preprocessed. Host image is preprocessed by using Butterworth filter, and watermark is with visual cryptography. Applying visual cryptography on water mark generates two shares. One share is used for embedding the watermark, and the other one is used for solving any dispute with the aid of trusted authority. Usage of histogram shape makes the process more robust against geometric and signal processing attacks. The combination of visual cryptography, Butterworth filter, histogram, and entropy can make the algorithm more robust, imperceptible, and copy right protection of the owner.

Keywords: Butterworth filter, digital watermarking, histogram, visual cryptography.

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Authors: K. Soya, N. Mihara, D. Kuchar, M. Kubota, H. Matsuda, T. Fukuta

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The present work is concerned with sulfidation of Cu, Zn and Ni containing plating wastewater with CaS. The sulfidation experiments were carried out at a room temperature by adding solid CaS to simulated metal solution containing either single-metal of Ni, Zn and Cu, or Ni-Zn-Cu mixture. At first, the experiments were conducted without pH adjustment and it was found that the complete sulfidation of Zn and Ni was achieved at an equimolar ratio of CaS to a particular metal. However, in the case of Cu, a complete copper sulfidation was achieved at CaS to Cu molar ratio of about 2. In the case of the selective sulfidation, a simulated plating solution containing Cu, Zn and Ni at the concentration of 100 mg/dm3 was treated with CaS under various pH conditions. As a result, selective precipitation of metal sulfides was achieved by a sulfidation treatment at different pH values. Further, the precipitation agents of NaOH, Na2S and CaS were compared in terms of the average specific filtration resistance and compressibility coefficients of metal sulfide slurry. Consequently, based on the lowest filtration parameters of the produced metal sulfides, it was concluded that CaS was the most effective precipitation agent for separation and recovery of Cu, Zn and Ni.

Keywords: Calcium sulfide, Plating Wastewater, Filtrationcharacteristics, Heavy metals, Sulfidation.

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Authors: S. Gupta, R. Chadha

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Five crystal modifications of water insoluble artesunate were generated by recrystallizing it from various solvents with improved physicochemical properties. These generated crystal forms were characterized to select the most potent and soluble form. SEM of all the forms showed changes in external shape leading them to be different morphologically. DSC thermograms of Form III and Form V showed broad endotherm peaks at 83.04oC and 76.96oC prior to melting fusion of drug respectively. Calculated weight loss in TGA revealed that Form III and Form V are methanol and acetone solvates respectively. However, few additional peaks were appeared in XRPD pattern in these two solvate forms. All forms exhibit exothermic behavior in buffer and two solvates display maximum ease of molecular release from the lattice. Methanol and acetone solvates were found to be most soluble forms and exhibited higher antimalarial efficacy showing higher survival rate (83.3%) after 30 days.

Keywords: Artesunate, Crystal modifications, in vivo studies, Recrystallization.

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Authors: Hélder Spínola

Abstract:

Sustainable development is highly dependent on the implementation of environmental education programs, which has as its ultimate goal to produce environmentally literate citizens that undertake environmentally friendly actions. Efforts on environmental education along past years are now perceived on the increase of citizens awareness on European countries and, particularly, in Portugal. However, we still have a lack of information on the prevalence of specific behaviors that contributes to sustainability, influenced by a new attitude toward the environment. The determination of pro-environmental behaviors prevalence in higher education students is an important approach to understand to which extend the next leading generation is, in practice, committed with the goals of sustainable development. Therefore, present study evaluates the prevalence of a specific set of behaviors (water savings, energy savings, environmental criteria on shopping, and mobility) on the University of Madeira students and discusses their commitment with sustainable development.

Keywords: Pro-environmental behaviors, sustainable development, environmental education, higher education students

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Authors: T. J. Jemi Jeya, V. Sriram

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Pile Supported Caisson breakwater is an ecofriendly breakwater very useful in coastal zone protection. The model is developed by considering the advantages of both caisson breakwater and pile supported breakwater, where the top portion is a vertical or quarter circle caisson and the bottom portion consists of a pile supported breakwater defined as Vertical Pile Supported Breakwater (VPSCB) and Quarter-circle Pile Supported Breakwater (QPSCB). The study mainly focuses on comparison of run up over VPSCB and QPSCB under oblique waves. The experiments are carried out in a shallow wave basin under different water depths (d = 0.5 m & 0.55 m) and under different oblique regular waves (0⁰, 15⁰, 30⁰). The run up over the surface is measured by placing two run up probes over the surface at 0.3 m on both sides from the centre of the model. The results show that the non-dimensional shoreward run up shows slight decrease with respect to increase in angle of wave attack.

Keywords: Caisson breakwater, pile supported breakwater, quarter circle breakwater, vertical breakwater.

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Authors: M. Cheraghi, B. Lorestani, N. Yousefi

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Contamination of heavy metals represents one of the most pressing threats to water and soil resources as well as human health. Phytoremediation can be potentially used to remediate metalcontaminated sites. A major step towards the development of phytoremediation of heavy metal impacted soils is the discovery of the heavy metal hyperaccumulation in plants. In this study, the several established criteria to define a hyperaccumulator plant were applied. The case study was represented by a mining area in Hamedan province in the central west part of Iran. Obtained results showed that the most of sampled species were able to grow on heavily metal-contaminated soils and also were able to accumulate extraordinarily high concentrations of some metals such as Zn, Mn, Cu, Pb and Fe. Using the most common criteria, Euphorbia macroclada and Centaurea virgata can be classified as hyperaccumulators of some measured heavy metals and, therefore, they have suitable potential for phytoremediation of contaminated soils.

Keywords: Enrichment factor, Heavy metals, Hyperaccumulator, Phytoremediation, Translocation factor

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Authors: Minh Tuan, Nguyen, Chung –Ruey, Yen

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The study was performed to evaluate the effect of Sgirdling, fruit thinning plus bagging with 2,4-D application, fruit thinning plus bagging on growth and quality of wax apple fruit. Girdling was applied three week before flowering. The 2,4-D was sprayed at the small bud and petal fall stage. The effect of all treatments on fruit growth was measured weekly. The physical and biochemical quality characteristics of the fruits were recorded. The results showed that no significant effect on number of bud among treatments. S-girdling, 2,4-D application produced the lowest bud drop, fruit drop compared to untreated control. Moreover, S-girdling enhanced faster fruit growth producing the best final fruit length and diameter than the control treatment. It was also observed that Sgirdling greatly increased fruit set, fruit weight as well as total soluble solid, reduced fruit crack, and titratable acidity. In conclusion, S-girdling had a distinctive and significant effect on most of the fruit quality characteristics assessed. Application 2,4-D was also recommended as the industry norm to increase fruit set, and fruit quality in wax apple.

Keywords: Wax apple, S-girdling, 2, 4-D, fruit bagging, fruit thinning.

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Authors: Hadi Farhadian, Homayoon Katibeh

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In this paper, groundwater seepage into Amirkabir tunnel has been estimated using analytical and numerical methods for 14 different sections of the tunnel. Site Groundwater Rating (SGR) method also has been performed for qualitative and quantitative classification of the tunnel sections. The obtained results of above mentioned methods were compared together. The study shows reasonable accordance with results of the all methods unless for two sections of tunnel. In these two sections there are some significant discrepancies between numerical and analytical results mainly originated from model geometry and high overburden. SGR and the analytical and numerical calculations, confirm high concentration of seepage inflow in fault zones. Maximum seepage flow into tunnel has been estimated 0.425 lit/sec/m using analytical method and 0.628 lit/sec/m using numerical method occured in crashed zone. Based on SGR method, six sections of 14 sections in Amirkabir tunnel axis are found to be in "No Risk" class that is supported by the analytical and numerical seepage value of less than 0.04 lit/sec/m.

Keywords: Water Seepage, Amirkabir Tunnel, Analytical Method, DEM, SGR.

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Authors: Y. Parish, F. Najaei Abadi

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This paper presents a numerical analysis of the seismic behaviour of earth dams. Analysis is conducted for the solid phase. It may correspond to the response of the dam before water filling. Analysis is conducted for a simple case which concerns the elastic response of the dam. Numerical analyses are conducted using the FLAC3D program. The behaviour of the Shell and core of the dam and the foundation behaviour is assumed to be elastic. Result shows the influence of the variation of the shear modulus of the core and shell on the seismic amplification of the dam. It can be observed that the variation of the shearing modulus of the core leads to a moderate increase in the dynamic amplification and the increase in the shell shearing modulus leads to a significant increase in the dynamic amplification.

Keywords: Numerical, earth dam, seismic, dynamic, core, FLAC3D.

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Authors: S. O. Adeosun, E. I. Akpan, S. A. Balogun, A. S. Abdulmunim

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SiC reinforced Aluminum samples were produced by stir casting of liquid AA1200 aluminum alloy at 600-650ºC casting temperature. 83µm SiC particles were rinsed in 10g/l, 20g/l and 30g/l molar concentration of Sncl₂ through cleaning times of 0, 60, 120, and 180 minutes. Some cast samples were tested for mechanical properties and some were subjected to heat treatment before testing. The SnCl₂ rinsed SiC reinforced aluminum exhibited higher yield strength, hardness, stiffness and elongation which increases with cleaning concentration and time up to 120 minutes, compared to composite with untreated SiC. However, the impact energy resistance decreases with cleaning concentration and time. The improved properties were attributed to good wettability and mechanical adhesion at the fiber-matrix interface. Quenching and annealing the composite samples further improve the tensile/yield strengths, elongation, stiffness, hardness similar to those of the as-cast samples.

Keywords: Al-SIC, Aluminum, Composites, Intermetallic, Reinforcement, Tensile Strength, Wetting.

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Authors: C. Vrekos, C. Evagelides, N. Samarinas, G. Arampatzis

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As known, the water energy is a renewable and clean source of energy. Energy production from hydropower has been the first, and still is today a renewable source used to generate electricity. The optimal location and sizing of a small hydropower plant is a very important issue in engineering design which encourages investigation. The aim of this paper is to present a formula that can be utilized for locating the position of a small hydropower plant although there is a high dependence on economic, environmental, and social parameters. In this paper, the economic and technical side of the problem is considered. More specifically, there is a critical terrain slope that determines if the plant should be located at the end of the slope or not. Of course, this formula can be used for a first estimate and does not include detailed economic analysis. At the end, a case study is presented for the location of a small hydropower plant in order to demonstrate the validity of the proposed formula.

Keywords: Critical terrain slope, economic analysis, hydropower plant locating, renewable energy.

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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: Sadia Rahman, Shatirah Akib, M. T. R. Khan, R. Triatmadja

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Tsunami disaster poses a great threat to coastal infrastructures. Bridges without adequate provisions for earthquake and tsunami loading is generally vulnerable to tsunami attack. During the last two disastrous tsunami event (i.e. Indian Ocean and Japan Tsunami) a number of bridges were observed subsequent damages by tsunami waves. In this study, laboratory experiments were conducted to study the effects of perforations in bridge girder in force reduction. Results showed that significant amount of forces were reduced using perforations in girder. Approximately 10% to 18% force reductions were achieved by using about 16% perforations in bridge girder. Subsequent amount of force reductions revealed that perforations in girder are effective in reducing tsunami forces as perforations in girder let water to be passed through. Thus, less bridge damages are expected with the presence of perforations in girder during tsunami period.

Keywords: Bridge, force, girder, perforation, tsunami, wave.

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Authors: E. Zsédely, A. Király, Cs. Szabó., K. Németh, O. Dóka, J. Schmidt

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Theexperiment was carried out with 2x5 male Merino lambs raised under intensive conditions to investigate the effect of dietary calcium soap of linseed oil on the color and fatty acid composition of longissimusdorsi muscle. Control lambs fed a basal diet and the experimental lambs consumed a diet supplemented with 3% calcium soap of linseed oil. The color values (L*, a*, b* a*/b* and chroma) were not influenced by dietary treatment. The MUFA proportion reduced, SFA and PUFA content did not alter. As expected, the linolenic (C18:3 n3) and thusthe n-3 content significantly improved by linseed supplement (0.47 and 0.81; 0.78 and 1.16 in control and in experimental samples, respectively). Other n-3 and n-6 fatty acids had similar valuestocontrol samples. The n- 6/n-3 ratio was significantly narrower in the experimental group (6.31 vs. 9.38) but the P/S ratio did not differ betweenthe two groups.In conclusion calcium soap of linseed oil seems to be a suitable supplement form of n-3 fatty acids to improve the nutritive value of lamb meat.

Keywords: calcium soap, fatty acid, lamb meat, linseed

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Authors: M. Habchi, S. M. Mesli, M. Kotbi

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A structural study of an aqueous electrolyte whose experimental results are available. It is a solution of LiCl-6H2O type at glassy state (120K) contrasted with pure water at room temperature by means of Partial Distribution Functions (PDF) issue from neutron scattering technique. Based on these partial functions, the Reverse Monte Carlo method (RMC) computes radial and angular correlation functions which allow exploring a number of structural features of the system. The obtained curves include some artifacts. To remedy this, we propose to introduce a screened potential as an additional constraint. Obtained results show a good matching between experimental and computed functions and a significant improvement in PDFs curves with potential constraint. It suggests an efficient fit of pair distribution functions curves.

Keywords: RMC simulation; Screened potential; partial and pair distribution functions; glassy and liquid state

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Authors: Lv Shizeng, Han Xiao, Zhang Yi, Ding Wenjing

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The lunar sample storage device is mainly used for the preparation of the lunar samples, observation, physical analysis and other work. The lunar samples and operating equipment are placed directly inside the storage device. The inside of the storage device is a high purity nitrogen environment to ensure that the sample is not contaminated by the Earth's environment. In order to ensure that the water and oxygen indicators in the storage device meet the sample requirements, a dynamic gas cycle is required between the storage device and the external purification equipment. However, the internal gas disturbance in the storage device can affect the operation of the sample. In this paper, the storage device model is established, and the tetrahedral mesh is established by Tetra/Mixed method. The influence of different inlet position and gas flow on the internal flow field disturbance is calculated, and the disturbed flow area should be avoided during the sampling operation.

Keywords: Lunar samples, gas disturbance, storage device, characteristic analysis.

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Authors: W. P. Hu, J. V. Kumar, Jeffrey J. P. Tsai

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The inhibition of SH2 domain regulated protein-protein interactions is an attractive target for developing an effective chemotherapeutic approach in the treatment of disease. Molecular simulation is a useful tool for developing new drugs and for studying molecular recognition. In this study, we searched potential drug compounds for the inhibition of SH2 domain by performing structural similarity search in PubChem Compound Database. A total of 37 compounds were screened from the database, and then we used the LibDock docking program to evaluate the inhibition effect. The best three compounds (AP22408, CID 71463546 and CID 9917321) were chosen for MD simulations after the LibDock docking. Our results show that the compound CID 9917321 can produce a more stable protein-ligand complex compared to other two currently known inhibitors of Src SH2 domain. The compound CID 9917321 may be useful for the inhibition of SH2 domain based on these computational results. Subsequently experiments are needed to verify the effect of compound CID 9917321 on the SH2 domain in the future studies.

Keywords: Nonpeptide inhibitor, Src SH2 domain, LibDock, molecular dynamics simulation.

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Authors: J. Uka, B. McKay, T. Minton, O. Adole, R. Lewis, S. J. Glanvill, L. Anguilano

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Effective heat treatment conditions to obtain maximum aluminium swarf recycling are investigated in this work. Aluminium swarf briquettes underwent treatments at different temperatures and cooling times to investigate the improvements obtained in the recovery of aluminium metal. The main issue for the recovery of the metal from swarfs is to overcome the constraints due to the oxide layers present in high concentration in the swarfs since they have a high surface area. Briquettes supplied by Renishaw were heat treated at 650, 700, 750, 800 and 850 ℃ for 1-hour and then cooled at 2.3, 3.5 and 5 ℃/min. The resulting material was analysed using SEM EDX to observe the oxygen diffusion and aluminium coalescence at the boundary between adjacent swarfs. Preliminary results show that, swarf needs to be heat treated at a temperature of 850 ℃ and cooled down slowly at 2.3 ℃/min to have thin and discontinuous alumina layers between the adjacent swarf and consequently allowing aluminium coalescence. This has the potential to save energy and provide maximum financial profit in preparation of swarf briquettes for recycling.

Keywords: Aluminium, swarf, oxide layers, recycle, reuse.

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