Search results for: structural framework
1509 Two Spatial Experiments based on Computational Geometry
Authors: Marco Hemmerling
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The paper outlines the relevance of computational geometry within the design and production process of architecture. Based on two case studies, the digital chain - from the initial formfinding to the final realization of spatial concepts - is discussed in relation to geometric principles. The association with the fascinating complexity that can be found in nature and its underlying geometry was the starting point for both projects presented in the paper. The translation of abstract geometric principles into a three-dimensional digital design model – realized in Rhinoceros – was followed by a process of transformation and optimization of the initial shape that integrated aesthetic, spatial and structural qualities as well as aspects of material properties and conditions of production.Keywords: Architecture, Computer Aided Architectural Design, 3D-Modeling, Rapid Prototyping, CAD/CAM.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 15921508 Data Annotation Models and Annotation Query Language
Authors: Neerja Bhatnagar, Benjoe A. Juliano, Renee S. Renner
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This paper presents data annotation models at five levels of granularity (database, relation, column, tuple, and cell) of relational data to address the problem of unsuitability of most relational databases to express annotations. These models do not require any structural and schematic changes to the underlying database. These models are also flexible, extensible, customizable, database-neutral, and platform-independent. This paper also presents an SQL-like query language, named Annotation Query Language (AnQL), to query annotation documents. AnQL is simple to understand and exploits the already-existent wide knowledge and skill set of SQL.Keywords: annotation query language, data annotations, data annotation models, semantic data annotations
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 23551507 Modeling Prices of Electricity Futures at EEX
Authors: Robest Flasza, Milan Rippel, Jan Solc
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The main aim of this paper is to develop and calibrate an econometric model for modeling prices of long term electricity futures contracts. The calibration of our model is performed on data from EEX AG allowing us to capture the specific features of German electricity market. The data sample contains several structural breaks which have to be taken into account for modeling. We model the data with an ARIMAX model which reveals high correlation between the price of electricity futures contracts and prices of LT futures contracts of fuels (namely coal, natural gas and crude oil). Besides this, also a share price index of representative electricity companies traded on Xetra, spread between 10Y and 1Y German bonds and exchange rate between EUR and USD appeared to have significant explanatory power over these futures contracts on EEX.Keywords: electricity futures, EEX, ARIMAX, emissionallowances
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 20111506 Quantum Computation using Two Component Bose-Einstein Condensates
Authors: Tim Byrnes
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Quantum computation using qubits made of two component Bose-Einstein condensates (BECs) is analyzed. We construct a general framework for quantum algorithms to be executed using the collective states of the BECs. The use of BECs allows for an increase of energy scales via bosonic enhancement, resulting in two qubit gate operations that can be performed at a time reduced by a factor of N, where N is the number of bosons per qubit. We illustrate the scheme by an application to Deutsch-s and Grover-s algorithms, and discuss possible experimental implementations. Decoherence effects are analyzed under both general conditions and for the experimental implementation proposed.
Keywords: Quantum, computing, information, Bose-Einstein condensates, macroscopic.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 19771505 The Surface Adsorption of Nano-pore Template
Authors: M. J. Kao, S.F. Chang, C.C. Chen, C.G. Kuo
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This paper aims to fabricated high quality anodic aluminum oxide (AAO) film by anodization method. AAO pore size, pore density, and film thickness can be controlled in 10~500 nm, 108~1011 pore.cm-2, and 1~100 μm. AAO volume and surface area can be computed based on structural parameters such as thickness, pore size, pore density, and sample size. Base on the thetorical calculation, AAO has 100 μm thickness with 15 nm, 60 nm, and 500 nm pore diameters AAO surface areas are 1225.2 cm2, 3204.4 cm2, and 549.7 cm2, respectively. The large unit surface area which is useful for adsorption application. When AAO adsorbed pH indictor of bromphenol blue presented a sensitive pH detection of solution change. This testing method can further be used for the precise measurement of biotechnology, convenience measurement of industrial engineering.Keywords: AAO, Pore, Surface area, Adsorption, Indicator
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 21341504 Robust Control for Discrete-Time Sector Bounded Systems with Time-Varying Delay
Authors: Ju H. Park, S.M. Lee
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In this paper, we propose a robust controller design method for discrete-time systems with sector-bounded nonlinearities and time-varying delay. Based on the Lyapunov theory, delaydependent stabilization criteria are obtained in terms of linear matrix inequalities (LMIs) by constructing the new Lyapunov-Krasovskii functional and using some inequalities. A robust state feedback controller is designed by LMI framework and a reciprocally convex combination technique. The effectiveness of the proposed method is verified throughout a numerical example.
Keywords: Lur'e systems, Time-delay, Stabilization, LMIs.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 16861503 Access Policy Specification for SCADA Networks
Authors: Rodrigo Chandia, Mauricio Papa
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Efforts to secure supervisory control and data acquisition (SCADA) systems must be supported under the guidance of sound security policies and mechanisms to enforce them. Critical elements of the policy must be systematically translated into a format that can be used by policy enforcement components. Ideally, the goal is to ensure that the enforced policy is a close reflection of the specified policy. However, security controls commonly used to enforce policies in the IT environment were not designed to satisfy the specific needs of the SCADA environment. This paper presents a language, based on the well-known XACML framework, for the expression of authorization policies for SCADA systems.Keywords: Access policy specification, process control systems, network security.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 23141502 A Mean–Variance–Skewness Portfolio Optimization Model
Authors: Kostas Metaxiotis
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Portfolio optimization is one of the most important topics in finance. This paper proposes a mean–variance–skewness (MVS) portfolio optimization model. Traditionally, the portfolio optimization problem is solved by using the mean–variance (MV) framework. In this study, we formulate the proposed model as a three-objective optimization problem, where the portfolio's expected return and skewness are maximized whereas the portfolio risk is minimized. For solving the proposed three-objective portfolio optimization model we apply an adapted version of the non-dominated sorting genetic algorithm (NSGAII). Finally, we use a real dataset from FTSE-100 for validating the proposed model.
Keywords: Evolutionary algorithms, portfolio optimization, skewness, stock selection.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 14171501 Performance Monitoring of the Refrigeration System with Minimum Set of Sensors
Authors: Radek Fisera, Petr Stluka
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This paper describes a methodology for remote performance monitoring of retail refrigeration systems. The proposed framework starts with monitoring of the whole refrigeration circuit which allows detecting deviations from expected behavior caused by various faults and degradations. The subsequent diagnostics methods drill down deeper in the equipment hierarchy to more specifically determine root causes. An important feature of the proposed concept is that it does not require any additional sensors, and thus, the performance monitoring solution can be deployed at a low installation cost. Moreover only a minimum of contextual information is required, which also substantially reduces time and cost of the deployment process.Keywords: Condition monitoring, energy baselining, fault detection and diagnostics, commercial refrigeration.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 28801500 Relational Framework and its Applications
Authors: Lidia Obojska
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This paper has, as its point of departure, the foundational axiomatic theory of E. De Giorgi (1996, Scuola Normale Superiore di Pisa, Preprints di Matematica 26, 1), based on two primitive notions of quality and relation. With the introduction of a unary relation, we develop a system totally based on the sole primitive notion of relation. Such a modification enables a definition of the concept of dynamic unary relation. In this way we construct a simple language capable to express other well known theories such as Robinson-s arithmetic or a piece of a theory of concatenation. A key role in this system plays an abstract relation designated by “( )", which can be interpreted in different ways, but in this paper we will focus on the case when we can perform computations and obtain results.Keywords: language, unary relations, arithmetic, computability
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 12601499 Behavior of Composite Timber-Concrete Beam with CFRP Reinforcement
Authors: O. Vlcek
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The paper deals with current issues in research of advanced methods to increase reliability of traditional timber structural elements. It analyses the issue of strengthening of bent timber beams, such as ceiling beams in old (historical) buildings with additional concrete slab in combination with externally bonded fiber - reinforced polymer. The study evaluates deflection of a selected group of timber beams with concrete slab and additional CFRP reinforcement using different calculating methods and observes differences in results from different calculating methods. An elastic (EN 1995) calculation method and evaluation with FEM analysis software were used.
Keywords: Timber-concrete composite, strengthening, fibre-reinforced polymer, theoretical analysis.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 18011498 Molecular Docking on Recomposed versus Crystallographic Structures of Zn-Dependent Enzymes and their Natural Inhibitors
Authors: Tudor Petreuş, Andrei Neamţu, Cristina Dascălu, Paul Dan Sîrbu, Carmen E. Cotrutz
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Matrix metalloproteinases (MMP) are a class of structural and functional related enzymes involved in altering the natural elements of the extracellular matrix. Most of the MMP structures are cristalographycally determined and published in WorldWide ProteinDataBank, isolated, in full structure or bound to natural or synthetic inhibitors. This study proposes an algorithm to replace missing crystallographic structures in PDB database. We have compared the results of a chosen docking algorithm with a known crystallographic structure in order to validate enzyme sites reconstruction there where crystallographic data are missing.Keywords: matrix metalloproteinases, molecular docking, structure superposition, surface complementarity.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 16101497 Virtual Scene based on VRML and Java
Authors: Hui-jun Ren, Da-kun ZHang
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VRML( The virtual reality modeling language) is a standard language used to build up 3D virtualized models. The quick development of internet technology and computer manipulation has promoted the commercialization of reality virtualization. VRML, thereof, is expected to be the most effective framework of building up virtual reality. This article has studied plans to build virtualized scenes based on the technology of virtual reality and Java programe, and introduced how to execute real-time data transactions of VRML file and Java programe by applying Script Node, in doing so we have the VRML interactivity being strengthened.
Keywords: VRML, Java, Virtual scene, Script.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 15071496 Automating Test Activities: Test Cases Creation, Test Execution, and Test Reporting with Multiple Test Automation Tools
Authors: Loke Mun Sei
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Software testing has become a mandatory process in assuring the software product quality. Hence, test management is needed in order to manage the test activities conducted in the software test life cycle. This paper discusses on the challenges faced in the software test life cycle, and how the test processes and test activities, mainly on test cases creation, test execution, and test reporting is being managed and automated using several test automation tools, i.e. Jira, Robot Framework, and Jenkins.Keywords: Test automation tools, test case, test execution, test reporting.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 31001495 Broad-Band Chiral Reflectors based on Nano-Structured Biological Materials
Authors: D.J. Brink, N.G. van der Berg, L.C. Prinsloo, A. Botha
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In this work we study the reflection of circularly polarised light from a nano-structured biological material found in the exocuticle of scarabus beetles. This material is made of a stack of ultra-thin (~5 nm) uniaxial layers arranged in a left-handed helicoidal stack, which resonantly reflects circularly polarized light. A chirp in the layer thickness combined with a finite absorption coefficient produce a broad smooth reflectance spectrum. By comparing model calculations and electron microscopy with measured spectra we can explain our observations and quantify most relevant structural parameters.Keywords: Chiral reflectors, circularly polarised light, helicoidal structures, nano photonics.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 11001494 Teachers- Perceptions on the Use of E-Books as Textbooks in the Classroom
Authors: Abd Mutalib Embong, Azelin M Noor, Razol Mahari M Ali, Zulqarnain Abu Bakar, Abdur- Rahman Mohamed Amin
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At the time where electronic books, or e-Books, offer students a fun way of learning , teachers who are used to the paper text books may find it as a new challenge to use it as a part of learning process. Precisely, there are various types of e-Books available to suit students- knowledge, characteristics, abilities, and interests. The paper discusses teachers- perceptions on the use of ebooks as a paper text book in the classroom. A survey was conducted on 72 teachers who use e-books as textbooks. It was discovered that a majority of these teachers had good perceptions on the use of ebooks. However, they had little problems using the devices. It can be overcome with some strategies and a suggested framework.Keywords: Classroom, E-books, perception, teacher.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 57481493 Biological Data Integration using SOA
Authors: Noura Meshaan Al-Otaibi, Amin Yousef Noaman
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Nowadays scientific data is inevitably digital and stored in a wide variety of formats in heterogeneous systems. Scientists need to access an integrated view of remote or local heterogeneous data sources with advanced data accessing, analyzing, and visualization tools. This research suggests the use of Service Oriented Architecture (SOA) to integrate biological data from different data sources. This work shows SOA will solve the problems that facing integration process and if the biologist scientists can access the biological data in easier way. There are several methods to implement SOA but web service is the most popular method. The Microsoft .Net Framework used to implement proposed architecture.Keywords: Bioinformatics, Biological data, Data Integration, SOA and Web Services.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 24731492 Grape Seed Extract in Prevention and Treatment of Liver Toxic Cirrhosis in Rats
Authors: S. Buloyan, V. Mamikonyan, H. Hakobyan, H. Harutyunyan, H. Gasparyan
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The liver is the strongest regenerating organ of the organism, and even with 2/3 surgically removed, it can regenerate completely. Hence liver cirrhosis may only develop when the regenerating system is off. We present the results of a comparative study of structural and functional characteristics of rat liver tissue under the conditions of toxic liver cirrhosis development, induced by carbon tetrachloride, and its prevention/treatment by natural compounds with antioxidant and immune stimulating action. Studies were made on Wister rats, weighing 120~140 g. Grape seeds extracts, separately and in combination with well-known anticirrhotic drug ursodeoxycholic acid (Urdoxa), have demonstrated effectiveness in prevention of liver cirrhosis development and its treatment.
Keywords: Carbon tetrachloride, GSE, liver cirrhosis, prevention, treatment.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 37451491 Review of Studies on Agility in Knowledge Management
Authors: Ferdi Sönmez, Başak Buluz
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Agility in Knowledge Management (AKM) tries to capture agility requirements and their respective answers within the framework of knowledge and learning for organizations. Since it is rather a new construct, it is difficult to claim that it has been sufficiently discussed and analyzed in practical and theoretical realms. Like the term ‘agile learning’, it is also commonly addressed in the software development and information technology fields and across the related areas where those technologies can be applied. The organizational perspective towards AKM, seems to need some more time to become scholarly mature. Nevertheless, in the literature one can come across some implicit usages of this term occasionally. This research is aimed to explore the conceptual background of agility in KM, re-conceptualize it and extend it to business applications with a special focus on e-business.
Keywords: Knowledge management, agility requirements, agility in knowledge management, knowledge.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 12571490 Maximizing Performance of the Membranes Based on Quaternized Polysulfone/Polyvinil Alcohol for Biomedical Applications: Rheological Investigations
Authors: A. Filimon, R. M. Albu, E. Avram
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The rheological response of blends obtained from quaternized polysulfone and polyvinyl alcohol in N-methyl-2- pyrrolidone as against structural peculiarity of polymers from the blend, composition of polymer mixtures, as well as the types of interactions were investigated. Results show that the variation of polyvinyl alcohol composition in the studied system determines changes of the rheological properties, suggesting that the PVA acts as a plasticizer. Consequently, rheological behavior of complex system, described by the nonlinear flow curve, indicates the impact of polyvinil alcohol content to polysulfone solution, in order to facilitate the subsequently preparation of bioactive membranes.
Keywords: Membranes for biomedical applications, quaternized polysulfone/polyvinyl alcohol composites, rheological properties.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 18461489 A New Similarity Measure Based On Edge Counting
Authors: T. Slimani, B. Ben Yaghlane, K. Mellouli
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In the field of concepts, the measure of Wu and Palmer [1] has the advantage of being simple to implement and have good performances compared to the other similarity measures [2]. Nevertheless, the Wu and Palmer measure present the following disadvantage: in some situations, the similarity of two elements of an IS-A ontology contained in the neighborhood exceeds the similarity value of two elements contained in the same hierarchy. This situation is inadequate within the information retrieval framework. To overcome this problem, we propose a new similarity measure based on the Wu and Palmer measure. Our objective is to obtain realistic results for concepts not located in the same way. The obtained results show that compared to the Wu and Palmer approach, our measure presents a profit in terms of relevance and execution time.
Keywords: Hierarchy, IS-A ontology, Semantic Web, Similarity Measure.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 14881488 Wangle the Organizational Internal and External Knowledge – A New Horizon for Sustaining the Business Stability
Authors: Asim N., M. Mazhar Manzoor, Shariq A.
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Knowledge is renowned as a significant component for sustaining competitive advantage and gives leading edge in business. This study emphasizes towards proper and effectuate utilization of internal and external (both either explicit or tacit) knowledge comes from stakeholders, highly supportive to combat with the challenges and enhance organizational productivity. Furthermore, it proposed a model under context of IRSA framework which facilitates the organization including flow of knowledge and experience sharing among employees. In discussion section an innovative model which indulges all functionality as mentioned in analysis section.Keywords: Effective Decision-Making, Internal & ExternalKnowledge, Knowledge Management, Tacit & Explicit Knowledge.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 13161487 Multi-agent Data Fusion Architecture for Intelligent Web Information Retrieval
Authors: Amin Milani Fard, Mohsen Kahani, Reza Ghaemi, Hamid Tabatabaee
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In this paper we propose a multi-agent architecture for web information retrieval using fuzzy logic based result fusion mechanism. The model is designed in JADE framework and takes advantage of JXTA agent communication method to allow agent communication through firewalls and network address translators. This approach enables developers to build and deploy P2P applications through a unified medium to manage agent-based document retrieval from multiple sources.Keywords: Information retrieval systems, list fusion methods, document score, multi-agent systems.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 16001486 Gas Permeation Behavior of Single and Mixed Gas Components Using an Asymmetric Ceramic Membrane
Authors: Ngozi Nwogu, Edward Gobina
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A dip-coating process has been used to form an asymmetric silica membrane with improved membrane performance and reproducibility. First, we deposited repeatedly silica on top of a commercial alumina membrane support to improve its structural make up. The membrane is further processed under clean room conditions to avoid dust impurity and subsequent drying in an oven for high thermal, chemical and physical stability. The resulting asymmetric membrane exhibits a gradual change in the membrane layer thickness. Compared to the support, the dual-layer process improves the gas flow rates. For the scientific applications for natural gas purification, CO2, CH4 and H2 gas flow rates were. In addition, the membrane selectively separated hydrogen.Keywords: Gas permeation, Silica membrane, separation factor, membrane layer thickness.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 23871485 Efficient Filtering of Graph Based Data Using Graph Partitioning
Authors: Nileshkumar Vaishnav, Aditya Tatu
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An algebraic framework for processing graph signals axiomatically designates the graph adjacency matrix as the shift operator. In this setup, we often encounter a problem wherein we know the filtered output and the filter coefficients, and need to find out the input graph signal. Solution to this problem using direct approach requires O(N3) operations, where N is the number of vertices in graph. In this paper, we adapt the spectral graph partitioning method for partitioning of graphs and use it to reduce the computational cost of the filtering problem. We use the example of denoising of the temperature data to illustrate the efficacy of the approach.Keywords: Graph signal processing, graph partitioning, inverse filtering on graphs, algebraic signal processing.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 12331484 Managing Legal, Consumers and Commerce Risks in Phishing
Authors: Dinna N. M. N., Leau Y. B., Habeeb S. A. H., Yanti A. S.
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Phishing scheme is a new emerged security issue of E-Commerce Crime in globalization. In this paper, the legal scaffold of Malaysia, United States and United Kingdom are analyzed and followed by discussion on critical issues that rose due to phishing activities. The result revealed that inadequacy of current legal framework is the main challenge to govern this epidemic. However, lack of awareness among consumers, crisis on merchant-s responsibility and lack of intrusion reports and incentive arrangement contributes to phishing proliferating. Prevention is always better than curb. By the end of this paper, some best practices for consumers and corporations are suggested.Keywords: Phishing, Online Fraud, Business risks, Consumers privacy, Legal Issue, Cyber law.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 22521483 Catalytic Study of Methanol-to-Propylene Conversion over Nano-Sized HZSM-5
Authors: Jianwen Li, Hongfang Ma, Weixin Qian, Haitao Zhang, Weiyong Ying
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Methanol-to-propylene conversion was carried out in a continuous-flow fixed-bed reactor over nano-sized HZSM-5 zeolites. The HZSM-5 catalysts were synthesized with different Si/Al ratio and silicon sources, and treated with NaOH. The structural property, morphology, and acidity of catalysts were measured by XRD, N2 adsorption, FE-SEM, TEM, and NH3-TPD. The results indicate that the increment of Si/Al ratio decreased the acidity of catalysts and then improved propylene selectivity, while silicon sources had slight impact on the acidity but affected the product distribution. The desilication after alkali treatment could increase intracrystalline mesopores and enhance propylene selectivity.
Keywords: Alkali treatment, HZSM-5, methanol-to-propylene, synthesis condition.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 8171482 A Numerical Study on Micromechanical Aspects in Short Fiber Composites
Authors: I. Ioannou, I. M. Gitman
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This study focused on the contribution of micro-mechanical parameters on the macro-mechanical response of short fiber composites, namely polypropylene matrix reinforced by glass fibers. In the framework of this paper, an attention has been given to the glass fibers length, as micromechanical parameter influences the overall macroscopic material’s behavior. Three dimensional numerical models were developed and analyzed through the concept of a Representative Volume Element (RVE). Results of the RVE-based approach were compared with analytical Halpin-Tsai’s model.
Keywords: Effective properties, representative volume element, short fiber reinforced composites.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 13871481 AnQL: A Query Language for Annotation Documents
Authors: Neerja Bhatnagar, Ben A. Juliano, Renee S. Renner
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This paper presents data annotation models at five levels of granularity (database, relation, column, tuple, and cell) of relational data to address the problem of unsuitability of most relational databases to express annotations. These models do not require any structural and schematic changes to the underlying database. These models are also flexible, extensible, customizable, database-neutral, and platform-independent. This paper also presents an SQL-like query language, named Annotation Query Language (AnQL), to query annotation documents. AnQL is simple to understand and exploits the already-existent wide knowledge and skill set of SQL.
Keywords: Annotation query language, data annotations, data annotation models, semantic data annotations.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 18451480 Structural Study of Boron - Nitride Nanotube with Magnetic Resonance (NMR) Parameters Calculation via Density Functional Theory Method (DFT)
Authors: Asadollah Boshra, Ahmad Seif, Mehran Aghaei
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A model of (4, 4) single-walled boron-nitride nanotube as a representative of armchair boron-nitride nanotubes studied. At first the structure optimization performed and then Nuclear Magnetic Resonance parameters (NMR) by Density Functional Theory (DFT) method at 11B and 15N nuclei calculated. Resulted parameters evaluation presents electrostatic environment heterogeneity along the nanotube and especially at the ends but the nuclei in a layer feel the same electrostatic environment. All of calculations carried out using Gaussian 98 Software package.
Keywords: Boron-nitride nanotube, Density Functional Theory, Nuclear Magnetic Resonance (NMR).
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