Search results for: Endothermic nuclear synthesis

Authors: Ismail I. Fasfous, Nedal Abu Farha

Abstract:

The purpose of this research is to establish the experimental conditions for removal of Cibacron Brilliant Yellow 3G-P dye (CBY) from aqueous solutions by sorption onto coffee husks as a low-cost sorbent. The effects of various experimental parameters (e.g. initial CBY dye concentration, sorbent mass, pH, temperature) were examined and the optimal experimental conditions were determined. The results indicated that the removal of the dye was pH dependent and at initial pH of 2, the dye was removed effectively. The CBY dye sorption data were fitted to Langmuir, Freundlich, Temkin and Dubinin-Radushkevich equilibrium models. The maximum sorption capacity of CBY dye ions onto coffee husks increased from 24.04 to 35.04 mg g-1 when the temperature was increased from 293 to 313 K. The calculated sorption thermodynamic parameters including ΔG°, ΔH°, and ΔS° indicated that the CBY dye sorption onto coffee husks is a spontaneous, endothermic and mainly physical in nature.

Keywords: Coffee husks, equilibrium, reactive dyes, sorption.

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Authors: R. D. Kulkarni, Mayur Chaudhari, S. Mishra

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Curing of paints by exposure to UV radiations is emerging as one of the best film forming technique as an alternative to traditional solvent borne oxidative and thermal curing coatings. The composition and chemistry of UV curable coatings and role of multifunctional and monofunctional monomers, oligomers, and photoinitiators have been discussed. The limitations imposed by thermodynamic equilibrium and tendency for acrylic double bond polymerizations during synthesis of multifunctional acrylates have been presented. Aim of present investigation was thus to explore the reaction variables associated with synthesis of multifunctional acrylates. Zirconium oxychloride was evaluated as catalyst against regular acid functional catalyst. The catalyzed synthesis of glyceryl acrylate and neopentyl glycol acrylate was conducted by variation of following reaction parameters: two different reactant molar ratios- 1:4 and 1:6; catalyst usage in % by moles on polyol- 2.5, 5.0 and 7.5 and two different reaction temperatures- 45 and 75 0C. The reaction was monitored by determination of acid value and hydroxy value at regular intervals, besides TLC, HPLC, and FTIR analysis of intermediates and products. On the basis of determination of reaction progress over 1-60 hrs, the esterification reaction was observed to follow 2nd order kinetics with rate constant varying from 1*10-4 to 7*10-4. The thermal and catalytic components of second order rate constant and energy of activation were also determined. Uses of these kinetic and thermodynamic parameters in design of reactor for manufacture of multifunctional acrylate ester have been presented. The synthesized multifunctional acrylates were used to formulate and apply UV curable clear coat followed by determination of curing characteristics and mechanical properties of cured film. The overall curing rates less than 05 min. were easily attained indicating economical viability of radiation curable system due to faster production schedules

Keywords: glyceryl acrylate, neopentyl glycol acrylate, kinetic modeling, zirconium oxychloride.

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Authors: S. Sharma, U. Batra, S. Kapoor, A. Dua

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In this study, the effects and interactions of reaction time and capping agent assistance during sol-gel synthesis of magnesium substituted hydroxyapatite nanopowder (MgHA) on hydroxyapatite (HA) to β-tricalcium phosphate (β-TCP) ratio, Ca/P ratio and mean crystallite size was examined experimentally as well as through statistical analysis. MgHA nanopowders were synthesized by sol-gel technique at room temperature using aqueous solution of calcium nitrate tetrahydrate, magnesium nitrate hexahydrate and potassium dihydrogen phosphate as starting materials. The reaction time for sol-gel synthesis was varied between 15 to 60 minutes. Two process routes were followed with and without addition of triethanolamine (TEA) in the solutions. The elemental compositions of as-synthesized powders were determined using X-ray fluorescence (XRF) spectroscopy. The functional groups present in the assynthesized MgHA nanopowders were established through Fourier Transform Infrared Spectroscopy (FTIR). The amounts of phases present, Ca/P ratio and mean crystallite sizes of MgHA nanopowders were determined using X-ray diffraction (XRD). The HA content in biphasic mixture of HA and β-TCP and Ca/P ratio in as-synthesized MgHA nanopowders increased effectively with reaction time of sols (p<0.0001, two way ANOVA), however, these were independent of TEA addition (p>0.15, two way ANOVA). The MgHA nanopowders synthesized with TEA assistance exhibited 14 nm lower crystallite size (p<0.018, 2 sample t-test) compared to the powder synthesized without TEA assistance.

Keywords: Capping agent, hydroxyapatite, regression analysis, sol-gel, 2- sample t-test, two-way ANOVA.

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Authors: Ashok V. Borhade, Sanjay G. Wakchaure

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Pure phase gallosilicate nitrite sodalite has been synthesized in a single step by low temperature (373 oK) hydrothermal technique. The product obtained was characterized using a combination of techniques including X-ray powder diffraction, IR, Raman spectroscopy, SEM, MAS NMR spectroscopy as well as thermogravimetry. Sodalite with an ideal composition was obtained after synthesis at 3730K and seven days duration using alkaline medium. The structural features of the Na8[GaSiO4]6(NO2)2 sodalite were investigated by IR, MAS NMR spectroscopy of 29Si and 23Na nuclei and by Reitveld refinement of X-ray powder diffraction data. The crystal structure of this sodalite has been refined in the space group P 4 3n; with a cell parameter 8.98386Å, V= 726.9 Å, (Rwp= 0.077 and Rp=0.0537) and Si-O-Ga angle is found to be 132.920 . MAS NMR study confirms complete ordering of Si and Ga in the gallosilicate framework. The surface area of single entity with stoichiometry Na8[GaSiO4]6(NO2)2 was found to be 8.083 x10-15 cm2/g.

Keywords: Gallosilicate, hydrothermal, nitrite, Reitveldrefinement.

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Authors: A. Badoud, M. Khemliche, S. Latreche

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The main objective developed in this paper is to find a graphic technique for modeling, simulation and diagnosis of the industrial systems. This importance is much apparent when it is about a complex system such as the nuclear reactor with pressurized water of several form with various several non-linearity and time scales. In this case the analytical approach is heavy and does not give a fast idea on the evolution of the system. The tool Bond Graph enabled us to transform the analytical model into graphic model and the software of simulation SYMBOLS 2000 specific to the Bond Graphs made it possible to validate and have the results given by the technical specifications. We introduce the analysis of the problem involved in the faults localization and identification in the complex industrial processes. We propose a method of fault detection applied to the diagnosis and to determine the gravity of a detected fault. We show the possibilities of application of the new diagnosis approaches to the complex system control. The industrial systems became increasingly complex with the faults diagnosis procedures in the physical systems prove to become very complex as soon as the systems considered are not elementary any more. Indeed, in front of this complexity, we chose to make recourse to Fault Detection and Isolation method (FDI) by the analysis of the problem of its control and to conceive a reliable system of diagnosis making it possible to apprehend the complex dynamic systems spatially distributed applied to the standard pressurized water nuclear reactor.

Keywords: Bond Graph, Modeling, Simulation, Monitoring, Analytical Redundancy Relations, Pressurized Water Reactor, Directed Graph.

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Authors: Petri Solanti, Russell Klein

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Many designers are asking for an automated path from an abstract mathematical MATLAB model to a high-quality Register-Transfer Level (RTL) hardware description. Manual transformations of MATLAB or intermediate code are needed, when the design abstraction is changed. Design conversion is problematic as it is multidimensional and it requires many different design steps to translate the mathematical representation of the desired functionality to an efficient hardware description with the same behavior and configurability. Yet, a manual model conversion is not an insurmountable task. Using currently available design tools and an appropriate design methodology, converting a MATLAB model to efficient hardware is a reasonable effort. This paper describes a simple and flexible design methodology that was developed together with several design teams.

Keywords: Design methodology, high-level synthesis, MATLAB, verification.

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Authors: Parisa Tajer-Mohammad-Ghazvini, Rouha Kasra-Kermanshahi, Ahmad Nozad-Golikand, Majid Sadeghizadeh

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Bacterial magnetic nanoparticles have great useful potential in biotechnological and biomedical applications. In this study, a liquid growth medium was modified for cultivation a fastidious magnetotactic bacterium that has been isolated from Anzali lagoon, Iran in our previous research. These modifications include change in vitamin, mineral, carbon sources and etcetera. In our experience, the serum bottles and designed air-tight laboratory bottles were used to create microaerobic conditions in order to development of a method for scale-up experiment. This information may serve as a guide to green chemistry based biological protocols for the synthesis of magnetic nanoparticles with control over the chemical composition, morphology and size.

Keywords: Green chemistry, Magnetosome, Magnetotactic bacteria, Magnetic nanoparticles, Nano-Biotechnology.

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Authors: Gupta Rajesh, Paudel Sagar, Sharma Utkarsh, Singh Amit Kumar

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Thermal stratification has drawn much attention because of the malfunctions at various nuclear plants in U.S.A that raised significant safety concerns. The concerns due to this phenomenon relate to thermal stresses in branch pipes connected to the reactor coolant system piping. This stress limits the lifetime of the piping system, and even leading to penetrating cracks. To assess origin of valve damage in the pipeline, it is essential to determine the effect of turbulence penetration on valve leakage; since stratified flow is generally generated by turbulent penetration or valve leakage. As a result, we concluded with the help of coupled fluent-structural analysis that the pipe with less turbulence has less chance of failure there by requiring less maintenance.

Keywords: Reactor coolant system, thermal stratification, turbulent penetration, coupled fluent-structural analysis, Von Mises stress.

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Authors: Gülşah Çelik Gül, Figen Kurtuluş

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Magnesium containing boron compounds with hexagonal structure have been drawn much attention due to their superconductive nature. The main target of this work is new modified microwave oven by on our own has an ability about passing through a gas in the oven medium for attainment of oxygen-free compounds such as c-BN.  Mg containing boride was synthesized by modified-microwave method under nitrogen atmosphere using amorphous boron and magnesium source in appropriate molar ratio. Microwave oven with oxygen free environment has been modified to aimed to obtain magnesium boride without oxygen. Characterizations were done by powder X-ray diffraction (XRD), and Fourier transform infrared (FTIR) spectroscopy. Mg containing boride, generally named magnesium boride, with amorphous character without oxygen is obtained via designed microwave oven system.

Keywords: Magnesium containing boron compounds, modified microwave synthesis, powder X-ray diffraction, FTIR.

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Authors: G. Çelik Gül, F. Kurtuluş

Abstract:

Colemanite is the most common borate mineral, and the main source of the boron required by plants, human, and earth. Transition metals exhibit optical and physical properties such as; non-linear optical character, structural diversity, thermal stability, long cycle life and luminescent radiation. The doping of colemanite with a transition metal, bring it very interesting and attractive properties which make them applicable in industry. Iron doped calcium borate was synthesized by conventional solid state method at 1200 °C for 12 h with a systematic pathway. X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy/energy dispersive analyze (SEM/EDS) were used to characterize structural and morphological properties. Also, thermal properties were recorded by thermogravimetric-differential thermal analysis (TG/DTA). 

Keywords: Colemanite, conventional synthesis, powder x-ray diffraction, borates.

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Authors: Hadi Seyedarabi, Ali Aghagolzadeh, Sohrab Khanmohammadi

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Face and facial expressions play essential roles in interpersonal communication. Most of the current works on the facial expression recognition attempt to recognize a small set of the prototypic expressions such as happy, surprise, anger, sad, disgust and fear. However the most of the human emotions are communicated by changes in one or two of discrete features. In this paper, we develop a facial expressions synthesis system, based on the facial characteristic points (FCP's) tracking in the frontal image sequences. Selected FCP's are automatically tracked using a crosscorrelation based optical flow. The proposed synthesis system uses a simple deformable facial features model with a few set of control points that can be tracked in original facial image sequences.

Keywords: Deformable face model, facial animation, facialcharacteristic points, optical flow.

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Authors: Sophio Kobauri, Vladimir P. Torchilin, David Tugushi, Ramaz Katsarava

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Nanotherapy is an actual newest mode of treatment numerous diseases using nanoparticles (NPs) loading with different pharmaceuticals. NPs of biodegradable polymeric micelles (PMs) are gaining increased attention for their numerous and attractive abilities to be used in a variety of applications in the various fields of medicine. The present paper deals with the synthesis of a class of biodegradable micelle-forming polymers, namely ABA triblock-copolymer in which A-blocks represent amino-poly(ethylene glycol) (H₂N-PEG) and B-block is biodegradable amino acid-based poly(ester amide) constituted of α-amino acid – L-phenylalanine. The obtained copolymer formed micelles of 70±4 nm size at 10 mg/mL concentration.

Keywords: Amino acids, biodegradable poly(ester amide), amphiphilic triblock-copolymer, micelles.

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

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The dry-storage systems of nuclear power plants (NPPs) in Taiwan have become one of the major safety concerns. There are two steps considered in this study. The first step is the verification of the TRACE by using VSC-17 experimental data. The results of TRACE were similar to the VSC-17 data. It indicates that TRACE has the respectable accuracy in the simulation and analysis of the dry-storage systems. The next step is the application of TRACE in the dry-storage system of Kuosheng NPP (BWR/6). Kuosheng NPP is the second BWR NPP of Taiwan Power Company. In order to solve the storage of the spent fuels, Taiwan Power Company developed the new dry-storage system for Kuosheng NPP. In this step, the dry-storage system model of Kuosheng NPP was established by TRACE. Then, the steady state simulation of this model was performed and the results of TRACE were compared with the Kuosheng NPP data. Finally, this model was used to perform the safety analysis of Kuosheng NPP dry-storage system. Besides, FRAPTRAN was used tocalculate the transient performance of fuel rods.

Keywords: BWR, TRACE, FRAPTRAN, Dry-Storage.

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Authors: A. S. Kipcak, N. Baran Acarali, E. Moroydor Derun, N. Tugrul, S. Piskin

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Zinc borates can be used as multi-functional synergistic additives with flame retardant additives in polymers. Zinc borate is white, non-hygroscopic and powder type product. The most important properties are low solubility in water and high dehydration temperature. Zinc borates dehydrate above 290°C and anhydrous zinc borate has thermal resistance about 400°C. Zinc borates can be synthesized using several methods such as hydrothermal and solidstate processes. In this study, the solid-state method was applied at low temperatures of 600oC and 700oC using the starting materials of ZnO and H3BO3 with several mole ratios. The reaction time was determined as 4 hours after some preliminary experiments. After the synthesis, 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 ZnB4O7, Zn3(BO3)2, ZnB2O4 were synthesized and obtained along with the unreacted ZnO.

Keywords: FT-IR, solid-state method, zinc borate, XRD.

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Authors: Minami Ito, Akihiro Iijima

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On March 11, 2011, the Great East Japan Earthquake occurred off the coast of Sanriku, Japan. It is important to build a sustainable society through the reconstruction process rather than simply restoring the infrastructure. To compare the goals of reconstruction plans of quake-stricken municipalities, Japanese language morphological analysis was performed by using text mining techniques. Frequently-used nouns were sorted into four main categories of “life”, “disaster prevention”, “economy”, and “harmony with environment”. Because Soma City is affected by nuclear accident, sentences tagged to “harmony with environment” tended to be frequent compared to the other municipalities. Results from cluster analysis and principle component analysis clearly indicated that the local government reinforces the efforts to reduce risks from radiation exposure as a top priority.

Keywords: Eco-friendly reconstruction, harmony with environment, decontamination, nuclear disaster.

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Authors: Nabil Majd Alawi, Gia Hung Pham, Ahmed Barifcani

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Dry reforming of methane that converts two greenhouses gases (CH₄ and CO₂) to synthesis gas (a mixture of H₂ and CO) was studied in a commercial bench scale microwave (MW) plasma reactor system at atmospheric pressure. The CO₂, CH₄ and N₂ conversions; H₂, CO selectivities and yields, and syngas ratio (H₂/CO) were investigated in a wide range of total feed flow rate (0.45 – 2.1 L/min), MW power (700 – 1200 watt) and CO₂/CH₄ molar ratio (2 – 5). At the feed flow rates of CH₄, CO₂ and N₂ of 0.2, 0.4 and 1.5 L/min respectively, and the MWs input power of 700 W, the highest conversions of CH₄ and CO₂, selectivity and yield of H₂, CO and H₂/CO ratio of 79.35%, 44.82%, 50.12, 58.42, 39.77%, 32.89%, and 0.86, respectively, were achieved. The results of this work show that the product ratio increases slightly with the increasing total feed flow rate, but it decreases significantly with the increasing MW power and feeds CO₂/CH₄ ratio.

Keywords: Atmospheric pressure, methane dry reforming, microwave plasma, synthesis gas production.

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Authors: F. Karim

Abstract:

In this paper, triangular lattice index-guiding photonic crystal fibers (PCFs) are synthesized to compensate the chromatic dispersion of a single mode fiber (SMF-28) for an 80 km optical link operating at 1.55 µm, by using the directed tabu search algorithm. Hole-to-hole distance, circular air-hole diameter, solid-core diameter, ring number and PCF length parameters are optimized for this purpose. Three Synthesized PCFs with different physical parameters are compared in terms of their objective functions values, residual dispersions and compensation ratios.

Keywords: Triangular lattice index-guiding photonic crystal fiber, dispersion compensation, directed tabu search, synthesis.

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Authors: M. Saravanan

Abstract:

Antimicrobial resistant is becoming a major factor in virtually all hospital acquired infection may soon untreatable is a serious public health problem. These concerns have led to major research effort to discover alternative strategies for the treatment of bacterial infection. Nanobiotehnology is an upcoming and fast developing field with potential application for human welfare. An important area of nanotechnology for development of reliable and environmental friendly process for synthesis of nanoscale particles through biological systems In the present studies are reported on the use of fungal strain Aspergillus species for the extracellular synthesis of bionanoparticles from 1 mM silver nitrate (AgNO3) solution. The report would be focused on the synthesis of metallic bionanoparticles of silver using a reduction of aqueous Ag+ ion with the culture supernatants of Microorganisms. The bio-reduction of the Ag+ ions in the solution would be monitored in the aqueous component and the spectrum of the solution would measure through UV-visible spectrophotometer The bionanoscale particles were further characterized by Atomic Force Microscopy (AFM), Fourier Transform Infrared Spectroscopy (FTIR) and Thin layer chromatography. The synthesized bionanoscale particle showed a maximum absorption at 385 nm in the visible region. Atomic Force Microscopy investigation of silver bionanoparticles identified that they ranged in the size of 250 nm - 680 nm; the work analyzed the antimicrobial efficacy of the silver bionanoparticles against various multi drug resistant clinical isolates. The present Study would be emphasizing on the applicability to synthesize the metallic nanostructures and to understand the biochemical and molecular mechanism of nanoparticles formation by the cell filtrate in order to achieve better control over size and polydispersity of the nanoparticles. This would help to develop nanomedicine against various multi drug resistant human pathogens.

Keywords: Bionanoparticles, UV-visible spectroscopy, AtomicForce Microscopy, Extracellular synthesis, Multi drug resistant, antimicrobial activity, Nanomedicine

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Authors: Ghada Esheba, Fatimah Alturkistani, Arwa Obaid, Ahdab Bashehab, Moayad Alturkistani

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Introduction: Craniopharyngiomas (CPs) are rare epithelial tumors located mainly in the sellar/parasellar region. CPs have been classified histopathologically, genetically, clinically and prognostically into two distinctive subtypes: adamantinomatous and papillary variants. Aim: To examine the pattern of expression of both the β-catenin and epidermal growth factor receptor (EGFR) in surgically resected samples of adamantinomatous CP, and to asses for the possibility of using anti-EGFR in the management of ACP patients. Materials and methods: β-catenin and EGFR immunostaining was performed on paraffin-embedded tissue sections of 18 ACP cases. Result: 17 out of 18 cases (94%) of ACP exhibited strong nuclear/cytoplasmic expression of β-catenin, 15 (83%) of APC cases were positive for EGFR. Conclusion: Nuclear accumulation of β-catenin is a diagnostic hallmark of ACP. EGFR positivity in most cases of ACP could qualify the use of anti-EGFR therapy. 

Keywords: Craniopharyngioma, adamantinomatous, papillary, epidermal growth factor receptor, B-catenin.

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Authors: Jafar Ahmadi, Nafiseh Noormohammadi, Sedigheh Fabriki Ourang

Abstract:

GRF, Growth regulating factor, genes encode a novel class of plant-specific transcription factors. The GRF proteins play a role in the regulation of cell numbers in young and growing tissues and may act as transcription activations in growth and development of plants. Identification of GRF genes and their expression are important in plants to performance of the growth and development of various organs. In this study, to better understanding the structural and functional differences of GRFs family, 45 GRF proteins sequences in A. thaliana, Z. mays, O. sativa, B. napus, B. rapa, H. vulgare and S. bicolor, have been collected and analyzed through bioinformatics data mining. As a result, in secondary structure of GRFs, the number of alpha helices was more than beta sheets and in all of them QLQ domains were completely in the biggest alpha helix. In all GRFs, QLQ and WRC domains were completely protected except in AtGRF9. These proteins have no trans-membrane domain and due to have nuclear localization signals act in nuclear and they are component of unstable proteins in the test tube.

Keywords: Domain, Gene Family, GRF, Motif.

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Authors: N. Tugrul, A. S. Kipcak, N. Baran Acarali, E. Moroydor Derun, S. Piskin

Abstract:

Magnesium borate(MB) istechnical ceramic for high heat-resisting, corrosion-resisting, super mechanical strength, superinsulation, light weight, high strength, and high coefficient of elasticity. Zinc borate (ZB) can be used as multi-functional synergistic additives with flame retardant additives in polymers. The most important properties are low solubility in water and high dehydration temperature. ZB dehydrates above 290°C and anhydrous ZB has thermal resistance about 400°C. In this study, the raw materials of ZnO, MgO and H₃BO₃ were used with mole ratio of 1:1:9. With the starting materials hydrothermal method was applied at a temperature of 100^oC. The reaction time was determined as 30, 60, 90 and 120 minutes after some preliminary experiments. After the synthesis, 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 Zinc Oxide Borate Hydrate [Zn₃B₆O₁₂.3.5H₂O], Admontite [MgO(B₂O₃)₃.7(H₂O)] and Mcallisterite [Mg₂(B₆O₇(OH)₆)₂.9(H₂O)] were synthesized.

Keywords: Magnesium borate, zinc borate, XRD, FT-IR.

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Authors: Bhavana Prakash Shrivastava, Kavita Khare

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This paper presents a synthesis and simulation of proposed enhanced buffer. The design provides advantages of both buffer and bufferless network for that two cross bar switches are used. The concept of virtual channel (VC) is eliminated from the previous design by using an efficient flow-control scheme that uses the storage already present in pipelined channels in place of explicit input VCBs. This can be addressed by providing enhanced buffers on the bufferless link and creating two virtual networks. With this approach, VCBs act as distributed FIFO buffers. Without VCBs or VCs, deadlock prevention is achieved by duplicating physical channels. An enhanced buffer provides a function of hand shaking by providing a ready valid handshake signal and two bit storage. Through this design the power is reduced to 15.65% and delay is reduced to 97.88% with respect to virtual channel router.

Keywords: Enhanced buffer, Gate delay, NOC, VCs, VCB.

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Authors: Jyoti Narayan, S. Choudhary

Abstract:

Nanowire arrays of copper with uniform diameters have been synthesized by potentiostatic electrochemical metal deposition (EMD) of copper sulphate and potassium chloride solution within the nano-channels of porous Indium-Tin Oxide (ITO), also known as Tin doped Indium Oxide templates. The nanowires developed were fairly continuous with diameters ranging from 110-140 nm along the entire length. Single as well as poly-crystalline copper wires have been prepared by application of appropriate potential during the EMD process. Scanning electron microscopy (SEM), high resolution transmission electron microscopy (HRTEM), small angle electron diffraction (SAED) and atomic force microscopy (AFM) were used to characterize the synthesized nano wires at room temperature. The electrochemical response of synthesized products was evaluated by cyclic voltammetry while surface energy analysis was carried out using a Goniometer.

Keywords: Electro-deposition, Metallic nano-wires, Nanomaterials, Template synthesis

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Authors: Aurélie Mabrouk, Vincent Lagneau, Caroline De Dieuleveult, Martin Bachet, Hélène Schneider, Christophe Coquelet

Abstract:

Resins are used in nuclear power plants for water ultrapurification. Two approaches are considered in this work: column experiments and simulations. A software called OPTIPUR was developed, tested and used. The approach simulates the onedimensional reactive transport in porous medium with convectivedispersive transport between particles and diffusive transport within the boundary layer around the particles. The transfer limitation in the boundary layer is characterized by the mass transfer coefficient (MTC). The influences on MTC were measured experimentally. The variation of the inlet concentration does not influence the MTC; on the contrary of the Darcy velocity which influences. This is consistent with results obtained using the correlation of Dwivedi&Upadhyay. With the MTC, knowing the number of exchange site and the relative affinity, OPTIPUR can simulate the column outlet concentration versus time. Then, the duration of use of resins can be predicted in conditions of a binary exchange.

Keywords: ion exchange resin, mass transfer coefficient, modeling, OPTIPUR

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Authors: Hyung T. Kwak, Jun Gao, Yao An, Alfred Kleinhammes, Yue Wu

Abstract:

Surface wettability is a crucial factor in oil recovery. In oil industry, the rock wettability involves the interplay between water, oil, and solid surface. Therefore, studying the interplay between adsorptions of water and hydrocarbon molecules on solid surface would be very informative for understanding rock wettability. Here we use the in-situ Nuclear Magnetic Resonance (NMR) gas isotherm technique to study competitive adsorptions of water and isopropanol, an intermediate step from hydrocarbons. This in-situ NMR technique obtains information on thermodynamic properties such as the isotherm, molecular dynamics via spin relaxation measurements, and adsorption kinetics such as how fast the system can reach thermal equilibrium after changes of vapor pressures. Using surfaces of silica glass beads, which can be modified from hydrophilic to hydrophobic, we obtained information on the influence of surface hydrophilicity on the state of surface water via obtained thermodynamic and dynamic properties.

Keywords: Competitive adsorption, nuclear magnetic resonance, wettability.

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Authors: Setareh Shekarsaraei, Marjan Moridi, Nasser L. Hadipour

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In this study, nuclear magnetic resonance spectroscopy and nuclear quadrupole resonance spectroscopy parameters of 14N (Nitrogen in imidazole ring) in N–H…O hydrogen bonding for Histidine hydrochloride monohydrate were calculated via density functional theory. We considered a five-molecule model system of Histidine hydrochloride monohydrate. Also we examined the trends of environmental effect on hydrogen bonds as well as cooperativity. The functional used in this research is M06-2X which is a good functional and the obtained results has shown good agreement with experimental data. This functional was applied to calculate the NMR and NQR parameters. Some correlations among NBO parameters, NMR and NQR parameters have been studied which have shown the existence of strong correlations among them. Furthermore, the geometry optimization has been performed using M062X/6-31++G(d,p) method. In addition, in order to study cooperativity and changes in structural parameters, along with increase in cluster size, natural bond orbitals have been employed.

Keywords: Hydrogen bonding, Density Functional Theory (DFT), Natural bond Orbitals (NBO), cooperativity effects.

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Authors: Tadashi Watanabe

Abstract:

The two-phase flow field and the motion of the free surface in an oscillating channel are simulated numerically to assess the methodology for simulating nuclear reacotr thermal hydraulics under seismic conditions. Two numerical methods are compared: one is to model the oscillating channel directly using the moving grid of the Arbitrary Lagrangian-Eulerian method, and the other is to simulate the effect of channel motion using the oscillating acceleration acting on the fluid in the stationary channel. The two-phase flow field in the oscillating channel is simulated using the level set method in both cases. The calculated results using the oscillating acceleration are found to coinside with those using the moving grid, and the theoretical back ground and the limitation of oscillating acceleration are discussed. It is shown that the change in the interfacial area between liquid and gas phases under seismic conditions is important for nuclear reactor thermal hydraulics.

Keywords: Two-phase flow, simulation, seismic condition, moving grid, oscillating acceleration, interfacial area

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Authors: Dimitar Georgiev, Bogdan Bogdanov, Yancho Hristov, Irena Markovska

Abstract:

In this study the adsorption of Cu (II) ions from aqueous solutions on synthetic zeolite NaA was evaluated. The effect of solution temperature and the determination of the kinetic parameters of adsorption of Cu(II) from aqueous solution on zeolite NaA is important in understanding the adsorption mechanism. Variables of the system include adsorption time, temperature (293- 328K), initial solution concentration and pH for the system. The sorption kinetics of the copper ions were found to be strongly dependent on pH (the optimum pH 3-5), solute ion concentration and temperature (293 – 328 K). It was found, the pseudo-second-order model was the best choice among all the kinetic models to describe the adsorption behavior of Cu(II) onto ziolite NaA, suggesting that the adsorption mechanism might be a chemisorptions process The activation energy of adsorption (Ea) was determined as Cu(II) 13.5 kJ mol-1. The low value of Ea shows that Cu(II) adsorption process by zeolite NaA may be an activated chemical adsorption. The thermodynamic parameters (ΔG0, ΔH0, and ΔS0) were also determined from the temperature dependence. The results show that the process of adsorption Cu(II) is spontaneous and endothermic process and rise in temperature favors the adsorption.

Keywords: Zeolite NaA, adsorption, adsorption capacity, kinetic sorption

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Authors: W. S. Hsu, Y. Chiang, Y. S. Tseng, J. R. Wang, C. Shih, S. W. Chen

Abstract:

Kuosheng nuclear power plant (NPP) is a BWR/6 plant in Taiwan. There is more concern for the safety of NPPs in Taiwan after Japan Fukushima NPP disaster occurred. Hence, in order to estimate the safety of Kuosheng NPP spent fuel pool (SFP), by using TRACE, MELCOR, and SNAP codes, the safety analysis of Kuosheng NPP SFP was performed. There were two main steps in this research. First, the Kuosheng NPP SFP models were established. Second, the transient analysis of Kuosheng SFP was done by TRACE and MELCOR under the cooling system failure condition (Fukushima-like condition). The results showed that the calculations of MELCOR and TRACE were very similar in this case, and the fuel uncover happened roughly at 4^th day after the failure of cooling system. The above results indicated that Kuosheng NPP SFP may be unsafe in the case of long-term SBO situation. In addition, future calculations were needed to be done by the other codes like FRAPTRAN for the cladding calculations.

Keywords: TRACE, MELCOR, SNAP, spent fuel pool.

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Authors: R. Testoni, R. Levizzari, M. De Salve

Abstract:

Radioactive waste management is fundamental to safeguard population and environment by radiological risks. Environmental assessment of a site, where nuclear activities are located, allows understanding the hydro geological system and the radionuclides transport in groundwater and subsoil. Use of dedicated software is the basis of transport phenomena investigation and for dynamic scenarios prediction; this permits to understand the evolution of accidental contamination events, but at the same time the potentiality of the software itself can be verified. The aim of this paper is to perform a numerical analysis by means of HYDRUS 1D code, so as to evaluate radionuclides transport in a nuclear site in Piedmont region (Italy). In particular, the behavior in vadose zone was investigated. An iterative assessment process was performed for risk assessment of radioactive contamination. The analysis therein developed considers the following aspects: i) hydro geological site characterization; ii) individuation of the main intrinsic and external site factors influencing water flow and radionuclides transport phenomena; iii) software potential for radionuclides leakage simulation purposes.

Keywords: HYDRUS 1D, radionuclides transport phenomena, site characterization.

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