Search results for: shape properties
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 10571

Search results for: shape properties

3161 A Numerical Studies for Improving the Performance of Vertical Axis Wind Turbine by a Wind Power Tower

Authors: Soo-Yong Cho, Chong-Hyun Cho, Chae-Whan Rim, Sang-Kyu Choi, Jin-Gyun Kim, Ju-Seok Nam

Abstract:

Recently, vertical axis wind turbines (VAWT) have been widely used to produce electricity even in urban. They have several merits such as low sound noise, easy installation of the generator and simple structure without yaw-control mechanism and so on. However, their blades are operated under the influence of the trailing vortices generated by the preceding blades. This phenomenon deteriorates its output power and makes difficulty predicting correctly its performance. In order to improve the performance of VAWT, wind power towers can be applied. Usually, the wind power tower can be constructed as a multi-story building to increase the frontal area of the wind stream. Hence, multiple sets of the VAWT can be installed within the wind power tower, and they can be operated at high elevation. Many different types of wind power tower can be used in the field. In this study, a wind power tower with circular column shape was applied, and the VAWT was installed at the center of the wind power tower. Seven guide walls were used as a strut between the floors of the wind power tower. These guide walls were utilized not only to increase the wind velocity within the wind power tower but also to adjust the wind direction for making a better working condition on the VAWT. Hence, some important design variables, such as the distance between the wind turbine and the guide wall, the outer diameter of the wind power tower, the direction of the guide wall against the wind direction, should be considered to enhance the output power on the VAWT. A numerical analysis was conducted to find the optimum dimension on design variables by using the computational fluid dynamics (CFD) among many prediction methods. The CFD could be an accurate prediction method compared with the stream-tube methods. In order to obtain the accurate results in the CFD, it needs the transient analysis and the full three-dimensional (3-D) computation. However, this full 3-D CFD could be hard to be a practical tool because it requires huge computation time. Therefore, the reduced computational domain is applied as a practical method. In this study, the computations were conducted in the reduced computational domain and they were compared with the experimental results in the literature. It was examined the mechanism of the difference between the experimental results and the computational results. The computed results showed this computational method could be an effective method in the design methodology using the optimization algorithm. After validation of the numerical method, the CFD on the wind power tower was conducted with the important design variables affecting the performance of VAWT. The results showed that the output power of the VAWT obtained using the wind power tower was increased compared to them obtained without the wind power tower. In addition, they showed that the increased output power on the wind turbine depended greatly on the dimension of the guide wall.

Keywords: CFD, performance, VAWT, wind power tower

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3160 Warm Mix and Reclaimed Asphalt Pavement: A Greener Road Approach

Authors: Lillian Gungat, Meor Othman Hamzah, Mohd Rosli Mohd Hasan, Jan Valentin

Abstract:

Utilization of a high percentage of reclaimed asphalt pavement (RAP) requires higher production temperatures and consumes more energy. High production temperature expedites the aging of bitumen in RAP, which could affect the mixture performance. Warm mix asphalt (WMA) additive enables reduced production temperatures as a result of viscosity reduction. This paper evaluates the integration of a high percentage of RAP with a WMA additive known as RH-WMA. The optimum dosage of RH-WMA was determined from basic properties tests. A total of 0%, 30% and 50% RAP contents from two roads sources were modified with RH-WMA. The modified RAP bitumen were examined for viscosity, stiffness, rutting resistance and greenhouse gas emissions. The addition of RH-WMA improved the flow of bitumen by reducing the viscosity, and thus, decreased the construction temperature. The stiffness of the RAP modified bitumen reduced with the incorporation of RH-WMA. The positive improvement in rutting resistance was observed on bitumen with the addition of RAP and RH-WMA in comparison with control. It was estimated that the addition of RH-WMA could potentially reduce fuel usage and GHG emissions by 22 %. Hence, the synergy of RAP and WMA technology can be an alternative in green road construction.

Keywords: reclaimed asphalt pavement, WMA additive, viscosity, stiffness, emissions

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3159 Approach on Conceptual Design and Dimensional Synthesis of the Linear Delta Robot for Additive Manufacturing

Authors: Efrain Rodriguez, Cristhian Riano, Alberto Alvares

Abstract:

In recent years, robots manipulators with parallel architectures are used in additive manufacturing processes – 3D printing. These robots have advantages such as speed and lightness that make them suitable to help with the efficiency and productivity of these processes. Consequently, the interest for the development of parallel robots for additive manufacturing applications has increased. This article deals with the conceptual design and dimensional synthesis of the linear delta robot for additive manufacturing. Firstly, a methodology based on structured processes for the development of products through the phases of informational design, conceptual design and detailed design is adopted: a) In the informational design phase the Mudge diagram and the QFD matrix are used to aid a set of technical requirements, to define the form, functions and features of the robot. b) In the conceptual design phase, the functional modeling of the system through of an IDEF0 diagram is performed, and the solution principles for the requirements are formulated using a morphological matrix. This phase includes the description of the mechanical, electro-electronic and computational subsystems that constitute the general architecture of the robot. c) In the detailed design phase, a digital model of the robot is drawn on CAD software. A list of commercial and manufactured parts is detailed. Tolerances and adjustments are defined for some parts of the robot structure. The necessary manufacturing processes and tools are also listed, including: milling, turning and 3D printing. Secondly, a dimensional synthesis method applied on design of the linear delta robot is presented. One of the most important key factors in the design of a parallel robot is the useful workspace, which strongly depends on the joint space, the dimensions of the mechanism bodies and the possible interferences between these bodies. The objective function is based on the verification of the kinematic model for a prescribed cylindrical workspace, considering geometric constraints that possibly lead to singularities of the mechanism. The aim is to determine the minimum dimensional parameters of the mechanism bodies for the proposed workspace. A method based on genetic algorithms was used to solve this problem. The method uses a cloud of points with the cylindrical shape of the workspace and checks the kinematic model for each of the points within the cloud. The evolution of the population (point cloud) provides the optimal parameters for the design of the delta robot. The development process of the linear delta robot with optimal dimensions for additive manufacture is presented. The dimensional synthesis enabled to design the mechanism of the delta robot in function of the prescribed workspace. Finally, the implementation of the robotic platform developed based on a linear delta robot in an additive manufacturing application using the Fused Deposition Modeling (FDM) technique is presented.

Keywords: additive manufacturing, delta parallel robot, dimensional synthesis, genetic algorithms

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3158 Design of IMC-PID Controller Cascaded Filter for Simplified Decoupling Control System

Authors: Le Linh, Truong Nguyen Luan Vu, Le Hieu Giang

Abstract:

In this work, the IMC-PID controller cascaded filter based on Internal Model Control (IMC) scheme is systematically proposed for the simplified decoupling control system. The simplified decoupling is firstly introduced for multivariable processes by using coefficient matching to obtain a stable, proper, and causal simplified decoupler. Accordingly, transfer functions of decoupled apparent processes can be expressed as a set of n equivalent independent processes and then derived as a ratio of the original open-loop transfer function to the diagonal element of the dynamic relative gain array. The IMC-PID controller in series with filter is then directly employed to enhance the overall performance of the decoupling control system while avoiding difficulties arising from properties inherent to simplified decoupling. Some simulation studies are considered to demonstrate the simplicity and effectiveness of the proposed method. Simulations were conducted by tuning various controllers of the multivariate processes with multiple time delays. The results indicate that the proposed method consistently performs well with fast and well-balanced closed-loop time responses.

Keywords: coefficient matching method, internal model control (IMC) scheme, PID controller cascaded filter, simplified decoupler

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3157 Automated Computer-Vision Analysis Pipeline of Calcium Imaging Neuronal Network Activity Data

Authors: David Oluigbo, Erik Hemberg, Nathan Shwatal, Wenqi Ding, Yin Yuan, Susanna Mierau

Abstract:

Introduction: Calcium imaging is an established technique in neuroscience research for detecting activity in neural networks. Bursts of action potentials in neurons lead to transient increases in intracellular calcium visualized with fluorescent indicators. Manual identification of cell bodies and their contours by experts typically takes 10-20 minutes per calcium imaging recording. Our aim, therefore, was to design an automated pipeline to facilitate and optimize calcium imaging data analysis. Our pipeline aims to accelerate cell body and contour identification and production of graphical representations reflecting changes in neuronal calcium-based fluorescence. Methods: We created a Python-based pipeline that uses OpenCV (a computer vision Python package) to accurately (1) detect neuron contours, (2) extract the mean fluorescence within the contour, and (3) identify transient changes in the fluorescence due to neuronal activity. The pipeline consisted of 3 Python scripts that could both be easily accessed through a Python Jupyter notebook. In total, we tested this pipeline on ten separate calcium imaging datasets from murine dissociate cortical cultures. We next compared our automated pipeline outputs with the outputs of manually labeled data for neuronal cell location and corresponding fluorescent times series generated by an expert neuroscientist. Results: Our results show that our automated pipeline efficiently pinpoints neuronal cell body location and neuronal contours and provides a graphical representation of neural network metrics accurately reflecting changes in neuronal calcium-based fluorescence. The pipeline detected the shape, area, and location of most neuronal cell body contours by using binary thresholding and grayscale image conversion to allow computer vision to better distinguish between cells and non-cells. Its results were also comparable to manually analyzed results but with significantly reduced result acquisition times of 2-5 minutes per recording versus 10-20 minutes per recording. Based on these findings, our next step is to precisely measure the specificity and sensitivity of the automated pipeline’s cell body and contour detection to extract more robust neural network metrics and dynamics. Conclusion: Our Python-based pipeline performed automated computer vision-based analysis of calcium image recordings from neuronal cell bodies in neuronal cell cultures. Our new goal is to improve cell body and contour detection to produce more robust, accurate neural network metrics and dynamic graphs.

Keywords: calcium imaging, computer vision, neural activity, neural networks

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3156 Unknown Groundwater Pollution Source Characterization in Contaminated Mine Sites Using Optimal Monitoring Network Design

Authors: H. K. Esfahani, B. Datta

Abstract:

Groundwater is one of the most important natural resources in many parts of the world; however it is widely polluted due to human activities. Currently, effective and reliable groundwater management and remediation strategies are obtained using characterization of groundwater pollution sources, where the measured data in monitoring locations are utilized to estimate the unknown pollutant source location and magnitude. However, accurately identifying characteristics of contaminant sources is a challenging task due to uncertainties in terms of predicting source flux injection, hydro-geological and geo-chemical parameters, and the concentration field measurement. Reactive transport of chemical species in contaminated groundwater systems, especially with multiple species, is a complex and highly non-linear geochemical process. Although sufficient concentration measurement data is essential to accurately identify sources characteristics, available data are often sparse and limited in quantity. Therefore, this inverse problem-solving method for characterizing unknown groundwater pollution sources is often considered ill-posed, complex and non- unique. Different methods have been utilized to identify pollution sources; however, the linked simulation-optimization approach is one effective method to obtain acceptable results under uncertainties in complex real life scenarios. With this approach, the numerical flow and contaminant transport simulation models are externally linked to an optimization algorithm, with the objective of minimizing the difference between measured concentration and estimated pollutant concentration at observation locations. Concentration measurement data are very important to accurately estimate pollution source properties; therefore, optimal design of the monitoring network is essential to gather adequate measured data at desired times and locations. Due to budget and physical restrictions, an efficient and effective approach for groundwater pollutant source characterization is to design an optimal monitoring network, especially when only inadequate and arbitrary concentration measurement data are initially available. In this approach, preliminary concentration observation data are utilized for preliminary source location, magnitude and duration of source activity identification, and these results are utilized for monitoring network design. Further, feedback information from the monitoring network is used as inputs for sequential monitoring network design, to improve the identification of unknown source characteristics. To design an effective monitoring network of observation wells, optimization and interpolation techniques are used. A simulation model should be utilized to accurately describe the aquifer properties in terms of hydro-geochemical parameters and boundary conditions. However, the simulation of the transport processes becomes complex when the pollutants are chemically reactive. Three dimensional transient flow and reactive contaminant transport process is considered. The proposed methodology uses HYDROGEOCHEM 5.0 (HGCH) as the simulation model for flow and transport processes with chemically multiple reactive species. Adaptive Simulated Annealing (ASA) is used as optimization algorithm in linked simulation-optimization methodology to identify the unknown source characteristics. Therefore, the aim of the present study is to develop a methodology to optimally design an effective monitoring network for pollution source characterization with reactive species in polluted aquifers. The performance of the developed methodology will be evaluated for an illustrative polluted aquifer sites, for example an abandoned mine site in Queensland, Australia.

Keywords: monitoring network design, source characterization, chemical reactive transport process, contaminated mine site

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3155 Evaluation of Antimicrobial Properties of Lactic Acid Bacteria of Enterococcus Genus

Authors: Kristina Karapetyan, Flora Tkhruni, Tsovinar Balabekyan, Arevik Israyelyan, Tatyana Khachatryan

Abstract:

The ability of the lactic acid bacteria (LAB) to prevent and cure a variety of diseases, their protective role against infections and colonization of pathogenic microorganisms in the digestive tract, has lead to the coining of the term probiotics or pro-life. LAB inhibiting the growth of pathogenic and food spoilage microorganisms, maintaining the nutritive quality and improving the shelf life of foods. They have also been used as flavor and texture producers. Enterococcus strains have been used for treatment of diseases such as diarrhea or antibiotic associated diarrhea, inflammatory pathologies that affect colon such as irritable bowel syndrome, or immune regulation, diarrhea caused by antibiotic treatments. The obtaining and investigation of biological properties of proteinoceous antibiotics, on the basis of probiotic LAB shown, that bacteriocins, metabiotics, and peptides of LAB represent bactericides have a broad range of activity and are excellent candidates for development of new prophylactic and therapeutic substances to complement or replace conventional antibiotics. The genotyping by 16S rRNA sequencing for LAB were used. Cell free culture broth (CFC) broth was purified by the Gel filtration method on the Sephadex Superfine G 25 resin. Antimicrobial activity was determined by spot-on-lawn method and expressed in arbitrary units (AU/ml). The diversity of multidrug-resistance (MDR) of pathogenic strains to antibiotics, most widely used for treatment of human diseases in the Republics of Armenia and Nagorno Karabakh were examined. It was shown, that difference of resistance of pathogens to antibiotics depends on their isolation sources. The influences of partially purified antimicrobial preparations (AMP), obtained from the different strains of Enterococcus genus on the growth of MDR pathogenic bacteria were investigated. It was shown, that bacteriocin containing partially purified preparations, obtained from different strains of Enterococcus faecium and durans species, possess bactericidal or bacteriostatic activity against antibiotic resistant intestinal, spoilage and food-borne pathogens such as Listeria monocytogenes, Staphylococcus aureus, E. coli, and Salmonella. Endemic strains of LAB, isolated from Matsoni made from donkey, buffalo and goat milk, shown broad spectrum of activity against food spoiling microorganisms, moulds and fungi, such as Salmonella sp., Esherichia coli, Aspergillus and Penicillium species. Highest activity against MDR pathogens shown bacteria, isolated from goat milk products. High stability of the investigated strains of the genus Enerococcus, isolated from samples of matsun from different regions of Nagorno-Karabakh (NKR) to the antibiotics was shown. The obtained data show high stability of the investigated different strains of the genus Enerococcus. The high genetic diversity in Enterococcus group suggests adaptations for specific mutations in different environments. Thus, endemic strains of LAB are able to produce bacteriocins with high and different inhibitory activity against broad spectrum of microorganisms isolated from different sources and belong to different taxonomic group. Prospect of the use of certain antimicrobial preparations against pathogenic strains is obvious. These AMP can be applied for long term use against different etiology antibiotic resistant pathogens for prevention or treatment of infectional diseases as an alternative to antibiotics.

Keywords: antimicrobial biopreparation, endemic lactic acid bacteria, intra-species diversity, multidrug resistance of pathogens

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3154 Requirement Analysis for Emergency Management Software

Authors: Tomáš Ludík, Jiří Barta, Sabina Chytilová, Josef Navrátil

Abstract:

Emergency management is a discipline of dealing with and avoiding risks. Appropriate emergency management software allows better management of these risks and has a direct influence on reducing potential negative impacts. Although there are several emergency management software products in the Czech Republic, they cover user requirements from the emergency management field only partially. Therefore, the paper focuses on the issues of requirement analysis within development of emergency management software. Analysis of the current state describes the basic features and properties of user requirements for software development as well as basic methods and approaches for gathering these requirements. Then, the paper presents more specific mechanisms for requirement analysis based on chosen software development approach: structured, object-oriented or agile. Based on these experiences it is designed new methodology for requirement analysis. Methodology describes how to map user requirements comprehensively in the field of emergency management and thus reduce misunderstanding between software analyst and emergency manager. Proposed methodology was consulted with department of fire brigade and also has been applied in the requirements analysis for their current emergency management software. The proposed methodology has general character and can be used also in other specific areas during requirement analysis.

Keywords: emergency software, methodology, requirement analysis, stakeholders, use case diagram, user stories

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3153 Substitution of Formaldehyde in Phenolic Resins with Innovative and Bio-Based Vanillin Derived Compounds

Authors: Sylvain Caillol, Ghislain David

Abstract:

Phenolic resins are industrially used in a wide range of applications from commodity and construction materials to high-technology aerospace industry. They are mainly produced from the reaction between phenolic compounds and formaldehyde. Nevertheless, formaldehyde is a highly volatile and hazardous compound, classified as a Carcinogenic, Mutagenic and Reprotoxic chemical (CMR). Vanillin is a bio-based and non-toxic aromatic aldehyde compound obtained from the abundant lignin resources. Also, its aromaticity is very interesting for the synthesis of phenolic resins with high thermal stability. However, because of the relatively low reactivity of its aldehyde function toward phenolic compounds, it has never been used to synthesize phenolic resins. We developed innovative functionalization reactions and designed new bio-based aromatic aldehyde compounds from vanillin. Those innovative compounds present improved reactivity toward phenolic compounds compared to vanillin. Moreover, they have target structures to synthesize highly cross-linked phenolic resins with high aromatic densities. We have obtained phenolic resins from substituted vanillin, thus without the use of any aldehyde compound classified as CMR. The analytical tests of the cured resins confirmed that those bio-based resins exhibit high levels of performance with high thermal stability and high rigidity properties

Keywords: phenolic resins, formaldehyde-free, vanillin, bio-based, non-toxic

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3152 Designing and Analyzing Sensor and Actuator of a Nano/Micro-System for Fatigue and Fracture Characterization of Nanomaterials

Authors: Mohammad Reza Zamani Kouhpanji

Abstract:

This paper presents a MEMS/NEMS device for fatigue and fracture characterization of nanomaterials. This device can apply static loads, cyclic loads, and their combinations in nanomechanical experiments. It is based on the electromagnetic force induced between paired parallel wires carrying electrical currents. Using this concept, the actuator and sensor parts of the device were designed and analyzed while considering the practical limitations. Since the PWCC device only uses two wires for actuation part and sensing part, its fabrication process is extremely easier than the available MEMS/NEMS devices. The total gain and phase shift of the MEMS/NEMS device were calculated and investigated. Furthermore, the maximum gain and sensitivity of the MEMS/NEMS device were studied to demonstrate the capability and usability of the device for wide range of nanomaterials samples. This device can be readily integrated into SEM/TEM instruments to provide real time study of the mechanical behaviors of nanomaterials as well as their fatigue and fracture properties, softening or hardening behaviors, and initiation and propagation of nanocracks.

Keywords: sensors and actuators, MEMS/NEMS devices, fatigue and fracture nanomechanical testing device, static and cyclic nanomechanical testing device

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3151 Metalorganic Chemical Vapor Deposition Overgrowth on the Bragg Grating for Gallium Nitride Based Distributed Feedback Laser

Authors: Junze Li, M. Li

Abstract:

Laser diodes fabricated from the III-nitride material system are emerging solutions for the next generation telecommunication systems and optical clocks based on Ca at 397nm, Rb at 420.2nm and Yb at 398.9nm combined 556 nm. Most of the applications require single longitudinal optical mode lasers, with very narrow linewidth and compact size, such as communication systems and laser cooling. In this case, the GaN based distributed feedback (DFB) laser diode is one of the most effective candidates with gratings are known to operate with narrow spectra as well as high power and efficiency. Given the wavelength range, the period of the first-order diffraction grating is under 100 nm, and the realization of such gratings is technically difficult due to the narrow line width and the high quality nitride overgrowth based on the Bragg grating. Some groups have reported GaN DFB lasers with high order distributed feedback surface gratings, which avoids the overgrowth. However, generally the strength of coupling is lower than that with Bragg grating embedded into the waveguide within the GaN laser structure by two-step-epitaxy. Therefore, the overgrowth on the grating technology need to be studied and optimized. Here we propose to fabricate the fine step shape structure of first-order grating by the nanoimprint combined inductively coupled plasma (ICP) dry etching, then carry out overgrowth high quality AlGaN film by metalorganic chemical vapor deposition (MOCVD). Then a series of gratings with different period, depths and duty ratios are designed and fabricated to study the influence of grating structure to the nano-heteroepitaxy. Moreover, we observe the nucleation and growth process by step-by-step growth to study the growth mode for nitride overgrowth on grating, under the condition that the grating period is larger than the mental migration length on the surface. The AFM images demonstrate that a smooth surface of AlGaN film is achieved with an average roughness of 0.20 nm over 3 × 3 μm2. The full width at half maximums (FWHMs) of the (002) reflections in the XRD rocking curves are 278 arcsec for the AlGaN film, and the component of the Al within the film is 8% according to the XRD mapping measurement, which is in accordance with design values. By observing the samples with growth time changing from 200s, 400s to 600s, the growth model is summarized as the follow steps: initially, the nucleation is evenly distributed on the grating structure, as the migration length of Al atoms is low; then, AlGaN growth alone with the grating top surface; finally, the AlGaN film formed by lateral growth. This work contributed to carrying out GaN DFB laser by fabricating grating and overgrowth on the nano-grating patterned substrate by wafer scale, moreover, growth dynamics had been analyzed as well.

Keywords: DFB laser, MOCVD, nanoepitaxy, III-niitride

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3150 Determination of Weld Seam Thickness in Welded Connection Subjected to Local Buckling Effects

Authors: Tugrul Tulunay, Iyas Devran Celik

Abstract:

When the materials used in structural steel industry are evaluated, box beam profiles are considerably preferred. As a result of the cross-sectional properties that these profiles possess, the connection of these profiles to each other and to profiles having different types of cross sections is becoming viable by means of additional measures. An important point to note in such combinations is continuous transfer of internal forces from element to element. At the beginning to ensure this continuity, header plate is needed to use. The connection of the plates to the elements works mainly through welds. In this study, it is aimed to determine the ideal welding thickness in box beam under bending effect and the joints exposed to local buckles that will form in the column. The connection with box column and box beam designed in this context was made by means of corner and circular filler welds. Corner welds of different thickness and analysis by types with different lengths depending on plate dimensions in numerical models were made with the help of ANSYS Workbench program and examined behaviours.

Keywords: welding thickness, box beam-column joints, design of steel structures, calculation and construction principles 2016, welded joints under local buckling

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3149 Segmentation of Arabic Handwritten Numeral Strings Based on Watershed Approach

Authors: Nidal F. Shilbayeh, Remah W. Al-Khatib, Sameer A. Nooh

Abstract:

Arabic offline handwriting recognition systems are considered as one of the most challenging topics. Arabic Handwritten Numeral Strings are used to automate systems that deal with numbers such as postal code, banking account numbers and numbers on car plates. Segmentation of connected numerals is the main bottleneck in the handwritten numeral recognition system.  This is in turn can increase the speed and efficiency of the recognition system. In this paper, we proposed algorithms for automatic segmentation and feature extraction of Arabic handwritten numeral strings based on Watershed approach. The algorithms have been designed and implemented to achieve the main goal of segmenting and extracting the string of numeral digits written by hand especially in a courtesy amount of bank checks. The segmentation algorithm partitions the string into multiple regions that can be associated with the properties of one or more criteria. The numeral extraction algorithm extracts the numeral string digits into separated individual digit. Both algorithms for segmentation and feature extraction have been tested successfully and efficiently for all types of numerals.

Keywords: handwritten numerals, segmentation, courtesy amount, feature extraction, numeral recognition

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3148 In Vitro Study of Antioxidant Capacity of Chrysanthemum Indicum Extract

Authors: Puchita Chokcharoenying

Abstract:

Polyphenols are the most abundant antioxidants found in plants, and they are highly effective at scavenging oxidative free radicals. Antioxidants are substances found in medicinal plants to help prevent heart disease, stroke, and some cancers. This study focused on evaluating the flavonoids content of Chrysanthemum Indicum and determine their antioxidant capacity by using DPPH and ABTS radical scavenging capacity assay. The total flavonoid content of C. indicumextract was determined and expressed as quercetin equivalents (QE)/g measured by an aluminiumchloride colorimetric method. The results showed that the IC50 of C. indicum extract were 83.57μg/mL ± 0.875 and52.57μg/mL ± 0.632for DPPH and ABTS, respectively. C. indicumextract exhibited antioxidant activities as a concentration dependent manner. In the DPPH assay, vitamin C was used as a positive control, whereas Trolox was used as a positive control in the ABTS assay. In summary, C. indicum extract is rich in flavonoids, which have potent antioxidant properties. Thus, C. indicum extract is a good source of antioxidants and can be developed for medicinal purposes. Nevertheless, more research on the antioxidant activity of C. indicum extract and in vivo antioxidant studies are still needed.

Keywords: ABTS assay, antioxidant, chrysanthemum indicum, DPPH assay, total flavonoid content

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3147 Petrology of the Post-Collisional Dolerites, Basalts from the Javakheti Highland, South Georgia

Authors: Bezhan Tutberidze

Abstract:

The Neogene-Quaternary volcanic rocks of the Javakheti Highland are products of post-collisional continental magmatism and are related to divergent and convergent margins of Eurasian-Afroarabian lithospheric plates. The studied area constitutes an integral part of the volcanic province of Central South Georgia. Three cycles of volcanic activity are identified here: 1. Late Miocene-Early Pliocene, 2. Late Pliocene-Early /Middle/ Pleistocene and 3. Late Pleistocene. An intense basic dolerite magmatic activity occurred within the time span of the Late Pliocene and lasted until at least Late /Middle/ Pleistocene. The age of the volcanogenic and volcanogenic-sedimentary formation was dated by geomorphological, paleomagnetic, paleontological and geochronological methods /1.7-1.9 Ma/. The volcanic area of the Javakheti Highland contains multiple dolerite Plateaus: Akhalkalaki, Gomarethi, Dmanisi, and Tsalka. Petrographic observations of these doleritic rocks reveal fairly constant mineralogical composition: olivine / Fo₈₇.₆₋₈₂.₇ /, plagioclase / Ab₂₂.₈ An₇₅.₉ Or₁.₃; Ab₄₅.₀₋₃₂.₃ An₅₂.₉₋₆₂.₃ Or₂.₁₋₅.₄/. The pyroxene is an augite and may exhibit a visible zoning: / Wo 39.7-43.1 En 43.5-45.2 Fs 16.8-11.7/. Opaque minerals /magnetite, titanomagnetite/ is abundant as inclusions within olivine and pyroxene crystals. The texture of dolerites exhibits intergranular, holocrystalline to ophitic to sub ophitic granular. Dolerites are most common vesicular rocks. Vesicles range in shape from spherical to elongated and in size from 0.5 mm to than 1.5-2 cm and makeup about 20-50 % of the volume. The dolerites have been subjected to considerable alteration. The secondary minerals in the geothermal field are: zeolite, calcite, chlorite, aragonite, clay-like mineral /dominated by smectites/ and iddingsite –like mineral; rare quartz and pumpellyite are present. These vesicles are filled by secondary minerals. In the chemistry, dolerites are the calc-alkalic transition to sub-alkaline with a predominance of Na₂O over K₂O. Chemical analyses indicate that dolerites of all plateaus of the Javakheti Highland have similar geochemical compositions, signifying that they were formed from the same magmatic source by crystallization of olivine basalis magma which less differentiated / ⁸⁷Sr \ ⁸⁶Sr 0.703920-0704195/. There is one argument, which is less convincing, according to which the dolerites/basalts of the Javakheti Highland are considered to be an activity of a mantle plume. Unfortunately, there does not exist reliable evidence to prove this. The petrochemical peculiarities and eruption nature of the dolerites of the Javakheti Plateau point against their plume origin. Nevertheless, it is not excluded that they influence the formation of dolerite producing primary basaltic magma.

Keywords: calc-alkalic, dolerite, Georgia, Javakheti Highland

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3146 A Culture-Contrastive Analysis Of The Communication Between Discourse Participants In European Editorials

Authors: Melanie Kerschner

Abstract:

Language is our main means of social interaction. News journalism, especially opinion discourse, holds a powerful position in this context. Editorials can be regarded as encounters of different, partially contradictory relationships between discourse participants constructed through the editorial voice. Their primary goal is to shape public opinion by commenting on events already addressed by other journalistic genres in the given newspaper. In doing so, the author tries to establish a consensus over the negotiated matter (i.e. the news event) with the reader. At the same time, he/she claims authority over the “correct” description and evaluation of an event. Yet, how can the relationship and the interaction between the discourse participants, i.e. the journalist, the reader and the news actors represented in the editorial, be best visualized and studied from a cross-cultural perspective? The present research project attempts to give insights into the role of (media) culture in British, Italian and German editorials. For this purpose the presenter will propose a basic framework: the so called “pyramid of discourse participants”, comprising the author, the reader, two types of news actors and the semantic macro-structure (as meta-level of analysis). Based on this framework, the following questions will be addressed: • Which strategies does the author employ to persuade the reader and to prompt him to give his opinion (in the comment section)? • In which ways (and with which linguistic tools) is editorial opinion expressed? • Does the author use adjectives, adverbials and modal verbs to evaluate news actors, their actions and the current state of affairs or does he/she prefer nominal labels? • Which influence do language choice and the related media culture have on the representation of news events in editorials? • In how far does the social context of a given media culture influence the amount of criticism and the way it is mediated so that it is still culturally-acceptable? The following culture-contrastive study shall examine 45 editorials (i.e. 15 per media culture) from six national quality papers that are similar in distribution, importance and the kind of envisaged readership to make valuable conclusions about culturally-motivated similarities and differences in the coverage and assessment of news events. The thematic orientation of the editorials will be the NSA scandal and the reactions of various countries, as this topic was and still is relevant to each of the three media cultures. Starting out from the “pyramid of discourse participants” as underlying framework, eight different criteria will be assigned to the individual discourse participants in the micro-analysis of the editorials. For the purpose of illustration, a single criterion, referring to the salience of authorial opinion, will be selected to demonstrate how the pyramid of discourse participants can be applied as a basis for empirical analysis. Extracts from the corpus shall furthermore enhance the understanding.

Keywords: Micro-analysis of editorials, culture-contrastive research, media culture, interaction between discourse participants, evaluation

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3145 Computational Study of Flow and Heat Transfer Characteristics of an Incompressible Fluid in a Channel Using Lattice Boltzmann Method

Authors: Imdat Taymaz, Erman Aslan, Kemal Cakir

Abstract:

The Lattice Boltzmann Method (LBM) is performed to computationally investigate the laminar flow and heat transfer of an incompressible fluid with constant material properties in a 2D channel with a built-in triangular prism. Both momentum and energy transport is modelled by the LBM. A uniform lattice structure with a single time relaxation rule is used. Interpolation methods are applied for obtaining a higher flexibility on the computational grid, where the information is transferred from the lattice structure to the computational grid by Lagrange interpolation. The flow is researched on for different Reynolds number, while Prandtl number is keeping constant as a 0.7. The results show how the presence of a triangular prism effects the flow and heat transfer patterns for the steady-state and unsteady-periodic flow regimes. As an evaluation of the accuracy of the developed LBM code, the results are compared with those obtained by a commercial CFD code. It is observed that the present LBM code produces results that have similar accuracy with the well-established CFD code, as an additionally, LBM needs much smaller CPU time for the prediction of the unsteady phonema.

Keywords: laminar forced convection, lbm, triangular prism

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3144 Intelligent System and Renewable Energy: A Farming Platform in Precision Agriculture

Authors: Ryan B. Escorial, Elmer A. Maravillas, Chris Jordan G. Aliac

Abstract:

This study presents a small-scale water pumping system utilizing a fuzzy logic inference system attached to a renewable energy source. The fuzzy logic controller was designed and simulated in MATLAB fuzzy logic toolbox to examine the properties and characteristics of the input and output variables. The result of the simulation was implemented in a microcontroller, together with sensors, modules, and photovoltaic cells. The study used a grand rapid variety of lettuce, organic substrates, and foliar for observation of the capability of the device to irrigate crops. Two plant boxes intended for manual and automated irrigation were prepared with each box having 48 heads of lettuce. The observation of the system took 22-31 days, which is one harvest period of the crop. Results showed a 22.55% increase in agricultural productivity compared to manual irrigation. Aside from reducing human effort, and time, the smart irrigation system could help lessen some of the shortcomings of manual irrigations. It could facilitate the economical utilization of water, reducing consumption by 25%. The use of renewable energy could also help farmers reduce the cost of production by minimizing the use of diesel and gasoline.

Keywords: fuzzy logic, intelligent system, precision agriculture, renewable energy

Procedia PDF Downloads 112
3143 Numerical Simulation of the Heat Transfer Process in a Double Pipe Heat Exchanger

Authors: J. I. Corcoles, J. D. Moya-Rico, A. Molina, J. F. Belmonte, J. A. Almendros-Ibanez

Abstract:

One of the most common heat exchangers technology in engineering processes is the use of double-pipe heat exchangers (DPHx), mainly in the food industry. To improve the heat transfer performance, several passive geometrical devices can be used, such as the wall corrugation of tubes, which increases the wet perimeter maintaining a constant cross-section area, increasing consequently the convective surface area. It contributes to enhance heat transfer in forced convection, promoting secondary recirculating flows. One of the most extended tools to analyse heat exchangers' efficiency is the use of computational fluid dynamic techniques (CFD), a complementary activity to the experimental studies as well as a previous step for the design of heat exchangers. In this study, a double pipe heat exchanger behaviour with two different inner tubes, smooth and spirally corrugated tube, have been analysed. Hence, experimental analysis and steady 3-D numerical simulations using the commercial code ANSYS Workbench v. 17.0 are carried out to analyse the influence of geometrical parameters for spirally corrugated tubes at turbulent flow. To validate the numerical results, an experimental setup has been used. To heat up or cool down the cold fluid as it passes through the heat exchanger, the installation includes heating and cooling loops served by an electric boiler with a heating capacity of 72 kW and a chiller, with a cooling capacity of 48 kW. Two tests have been carried out for the smooth tube and for the corrugated one. In all the tests, the hot fluid has a constant flowrate of 50 l/min and inlet temperature of 59.5°C. For the cold fluid, the flowrate range from 25 l/min (Test 1) and 30 l/min (Test 2) with an inlet temperature of 22.1°C. The heat exchanger is made of stainless steel, with an external diameter of 35 mm and wall thickness of 1.5 mm. Both inner tubes have an external diameter of 24 mm and 1 mm thickness of stainless steel with a length of 2.8 m. The corrugated tube has a corrugation height (H) of 1.1 mm and helical pitch (P) of 25 mm. It is characterized using three non-dimensional parameters, the ratio of the corrugation shape and the diameter (H/D), the helical pitch (P/D) and the severity index (SI = H²/P x D). The results showed good agreement between the numerical and the experimental results. Hence, the lowest differences were shown for the fluid temperatures. In all the analysed tests and for both analysed tubes, the temperature obtained numerically was slightly higher than the experimental results, with values ranged between 0.1% and 0.7%. Regarding the pressure drop, the maximum differences between the values obtained numerically, and the experimental values were close to 16%. Based on the experimental and the numerical results, for the corrugated tube, it can be highlighted that the temperature difference between the inlet and the outlet of the cold fluid is 42%, higher than the smooth tube.

Keywords: corrugated tube, heat exchanger, heat transfer, numerical simulation

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3142 Application of Gene Expression Programming (GEP) in Predicting Uniaxial Compressive Strength of Pyroclastic Rocks

Authors: İsmail İnce, Mustafa Fener, Sair Kahraman

Abstract:

The uniaxial compressive strength (UCS) of rocks is an important input parameter for the design of rock engineering project. Compressive strength can be determined in the laboratory using the uniaxial compressive strength (UCS) test. Although the test is relatively simple, the method is time consuming and expensive. Therefore many researchers have tried to assess the uniaxial compressive strength values of rocks via relatively simple and indirect tests (e.g. point load strength test, Schmidt Hammer hardness rebound test, P-wave velocity test, etc.). Pyroclastic rocks are widely exposed in the various regions of the world. Cappadocia region located in the Central Anatolia is one of the most spectacular cite of these regions. It is important to determine the mechanical behaviour of the pyroclastic rocks due to their ease of carving, heat insulation properties and building some civil engineering constructions in them. The purpose of this study is to estimate a widely varying uniaxial strength of pyroclastic rocks from Cappadocia region by means of point load strength, porosity, dry density and saturated density tests utilizing gene expression programming.

Keywords: pyroclastic rocks, uniaxial compressive strength, gene expression programming (GEP, Cappadocia region

Procedia PDF Downloads 314
3141 The Impact of Black Rice Ash Nanoparticles on Foam Stability through Foam Scanning in Enhanced Oil Recovery

Authors: Ishaq Ahmad, Zhaomin Li, Liu Chengwen, Song Yan Li, Zihan Gu, Li Shaopeng

Abstract:

In order to manage gas mobility in the reservoir, only a small amount of surfactant or polymer is needed because nanoparticles have the potential to improve foam stability. The aim is to enhance foam formation and stability, so it was decided to investigate the foam stability and foam ability of black rice husk ash. Several characterization techniques were used to investigate the properties of black rice husk ash. The best-performing anionic foaming surfactants were combined with black rice husk ash at different concentrations (ppm). Sodium dodecyl benzene sulphonate was used as the anionic surfactant. This study demonstrates the value of black rice husk ash (BRHA), which has a high silica concentration, for foam stability and ability. For the test, black rice husk ash and raw ash were used with SDS (Sodium Dodecyl Sulfate) and SDBS (Sodium dodecyl benzenesulfonate) surfactants under different parameters. Different concentration percentages were utilized to create the foam, and the hydrophobic test and shaking method were applied. The foam scanner was used to observe the behavior of the black rice husk ash foam. The high silica content of black rice husk ash has the potential to improve foam stability, which is favorable and could possibly improve oil recovery.

Keywords: black rice husk ash nanoparticle, surfactant, foam life, foam scanning

Procedia PDF Downloads 128
3140 Enhanced High-Temperature Strength of HfNbTaTiZrV Refractory High-Entropy Alloy via Al₂O₃ Reinforcement

Authors: Bingjie Wang, Qianqian Qang, Nan Lu, Xiubing Liang, Baolong Shen

Abstract:

Novel composites of HfNbTaTiZrV refractory high-entropy alloy (RHEA) reinforced with 0-5 vol.% Al₂O₃ particles have been synthesized by vacuum arc melting. The microstructure evolution, compressive mechanical properties at room and elevated temperatures, as well as strengthening mechanism of the composites, are analyzed. The HfNbTaTiZrV RHEA reinforced with 4 vol.% Al₂O₃ displays excellent phase stability at elevated temperatures. A superior compressive yield strength of 2700 MPa at room temperature, 1392 MPa at 800 °C, and 693 MPa at 1000 °C has been obtained for this composite. The improved yield strength results from multiple strengthening mechanisms caused by Al₂O₃ addition, including interstitial strengthening, grain boundary strengthening, and dispersion strengthening. Besides, the effects of interstitial strengthening increase with the temperature and is the main strengthening mechanism at elevated temperatures. These findings not only promote the development of oxide-reinforced RHEAs for challenging engineering applications but also provide guidelines for the design of light refractory materials with multiple strengthening mechanisms.

Keywords: Al₂O₃-reinforcement, HfNbTaTiZrV, refractory high-entropy alloy, interstitial strengthening

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3139 A Neural Network Model to Simulate Urban Air Temperatures in Toulouse, France

Authors: Hiba Hamdi, Thomas Corpetti, Laure Roupioz, Xavier Briottet

Abstract:

Air temperatures are generally higher in cities than in their rural surroundings. The overheating of cities is a direct consequence of increasing urbanization, characterized by the artificial filling of soils, the release of anthropogenic heat, and the complexity of urban geometry. This phenomenon, referred to as urban heat island (UHI), is more prevalent during heat waves, which have increased in frequency and intensity in recent years. In the context of global warming and urban population growth, helping urban planners implement UHI mitigation and adaptation strategies is critical. In practice, the study of UHI requires air temperature information at the street canyon level, which is difficult to obtain. Many urban air temperature simulation models have been proposed (mostly based on physics or statistics), all of which require a variety of input parameters related to urban morphology, land use, material properties, or meteorological conditions. In this paper, we build and evaluate a neural network model based on Urban Weather Generator (UWG) model simulations and data from meteorological stations that simulate air temperature over Toulouse, France, on days favourable to UHI.

Keywords: air temperature, neural network model, urban heat island, urban weather generator

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3138 Viscoelastic Response of the Human Corneal Stroma Induced by Riboflavin/UVA Cross-Linking

Authors: C. Labate, M. P. De Santo, G. Lombardo, R. Barberi, M. Lombardo, N. M. Ziebarth

Abstract:

In the past decades, the importance of corneal biomechanics in the normal and pathological functions of the eye has gained its credibility. In fact, the mechanical properties of biological tissues are essential to their physiological function. We are convinced that an improved understanding of the nanomechanics of corneal tissue is important to understand the basic molecular interactions between collagen fibrils. Ultimately, this information will help in the development of new techniques to cure ocular diseases and in the development of biomimetic materials. Therefore, nanotechnology techniques are powerful tools and, in particular, Atomic Force Microscopy has demonstrated its ability to reliably characterize the biomechanics of biological tissues either at the micro- or nano-level. In the last years, we have investigated the mechanical anisotropy of the human corneal stroma at both the tissue and molecular levels. In particular, we have focused on corneal cross-linking, an established procedure aimed at slowing down or halting the progression of the disease known as keratoconus. We have obtained the first evidence that riboflavin/UV-A corneal cross-linking induces both an increase of the elastic response and a decrease of the viscous response of the most anterior stroma at the scale of stromal molecular interactions.

Keywords: atomic force spectroscopy, corneal stroma, cross-linking, viscoelasticity

Procedia PDF Downloads 297
3137 Optical and Structural Properties of ZnO Quantum Dots Functionalized with 3-Aminopropylsiloxane Prepared by Sol-gel Method

Authors: M. Pacio, H. Juárez, R. Pérez-Cuapio E. Rosendo, T. Díaz, G. García

Abstract:

In this study, zinc oxide (ZnO) quantum dots (QDs) have been prepared by a simple route. The growth parameters for ZnO QDs were systematically studied inside a SiO2 shell; this shell acts as a capping agent and also enhances stability of the nanoparticles in water. ZnO QDs in silica shell could be produced by initially synthesizing a ZnO colloid (containing ZnO nanoparticles in methanol solution) and then was mixed with 3-aminopropylsiloxane used as SiO2 precursor. ZnO QDs were deposited onto silicon substrates (100) orientation by spin-coating technique. ZnO QDs into a SiO2 shell were pre-heated at 300 °C for 10 min after each coating, that procedure was repeated five times. The films were subsequently annealing in air atmosphere at 500 °C for 2 h to remove the trapped fluid inside the amorphous silica cage. ZnO QDs showed hexagonal wurtzite structure and about 5 nm in diameter. The composition of the films at the surface and in the bulk was obtained by Secondary Ion Mass Spectrometry (SIMS), the spectra revealed the presence of Zn- and Si- related clusters associated to the chemical species in the solid matrix. Photoluminescence (PL) spectra under 325 nm of excitation only show a strong UV emission band corresponding to ZnO QDs, such emission is enhanced with annealing. Our results showed that the method is appropriate for the preparation of ZnO QDs films embedded in a SiO2 shell with high UV photoluminescence.

Keywords: ZnO QDs, sol gel, functionalization

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3136 Poly(S/DVB)HIPE Filled with Cellulose from Water Hyacinth

Authors: Metinee Kawsomboon, Thanchanok Tulaphol, Manit Nithitanakul, Jitima Preechawong

Abstract:

PolyHIPE is a porous polymeric material from polymerization of high internal phase emulsion (HIPE) which contains 74% of internal phase (disperse phase) and 26 % of external phase (continues phase). Typically, polyHIPE was prepared from styrene (S) and divinylbenzene (DVB) and they were used in various kind of applications such as catalyst support, gas adsorption, separation membranes, and tissue engineering scaffolds due to high specific surface areas, high porousity, ability to adsorb large quantities of liquid. In this research, cellulose from water hyacinth (Eichornia Crassipes), an aquatic plant that grows and spread rapidly in rivers and waterways in Thailand was added into polyHIPE to increase mechanical property of polyHIPE. Addition of unmodified and modified cellulose to poly(S/DVB)HIPE resulting in a decrease in the surface area and thermal stability of the resulting materials. Mechanical properties of the resulting polyHIPEs filled with both unmodified and modified cellulose exhibited higher compressive strength and Young’s modulus by 146.3% and 162.5% respectively, compared to unfilled polyHIPEs. The water adsorption capacity of filled polyHIPE was also improved.

Keywords: porous polymer, PolyHIPE, cellulose, surface modification, water hyacinth

Procedia PDF Downloads 128
3135 Energy Absorption of Circular Thin-Walled Tube with Curved-Crease Patterns under Axial Crushing

Authors: Grzegorz Dolzyk, Sungmoon Jung

Abstract:

Thin-walled tubes are commonly used as energy absorption devices for their excellent mechanical properties and high manufacturability. Techniques such as grooving and pre-folded origami shapes were introduced to circular and polygonal tubes to improve its energy absorption efficiency. This paper examines the energy absorption characteristics of circular tubes with pre-embedded curved-crease pattern. Set of numerical analyzes were conducted with different grooving patterns for tubes with various diameter (D) to thickness (t) ratio. It has been found that even very shallow grooving can positively affect thin wall tubes, leading to increased energy absorption and higher crushing load efficiency. The phenomenon is associated with nonsymmetric deformation that is usually observed for tubes with a high D/t ratio ( > 90). Grooving can redirect a natural mode of post-buckling deformation to a one with a higher number of lobes such that its beneficial and more stable. Also, the opposite effect can be achieved, and highly disrupted deformation can be a cause of reduced energy absorption capabilities. Curved-crease engraved patterns can be used to stabilize and change a form of hazardous post-buckling deformation.

Keywords: axial crushing, energy absorption, grooving, thin-wall structures

Procedia PDF Downloads 129
3134 Stress Analysis of the Ceramics Heads with Different Sizes under the Destruction Tests

Authors: V. Fuis, P. Janicek, T. Navrat

Abstract:

The global solved problem is the calculation of the parameters of ceramic material from a set of destruction tests of ceramic heads of total hip joint endoprosthesis. The standard way of calculation of the material parameters consists in carrying out a set of 3 or 4 point bending tests of specimens cut out from parts of the ceramic material to be analysed. In case of ceramic heads, it is not possible to cut out specimens of required dimensions because the heads are too small (if the cut out specimens were smaller than the normalized ones, the material parameters derived from them would exhibit higher strength values than those which the given ceramic material really has). A special destruction device for heads destruction was designed and the solved local problem is the modification of this destructive device based on the analysis of tensile stress in the head for two different values of the depth of the conical hole in the head. The goal of device modification is a shift of the location with extreme value of 1 max from the region of head’s hole bottom to its opening. This modification will increase the credibility of the obtained material properties of bio ceramics, which will be determined from a set of head destructions using the Weibull weakest link theory.

Keywords: ceramic heads, depth of the conical hole, destruction test, material parameters, principal stress, total hip joint endoprosthesis

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3133 Thermodynamic Approach of Lanthanide-Iron Double Oxides Formation

Authors: Vera Varazashvili, Murman Tsarakhov, Tamar Mirianashvili, Teimuraz Pavlenishvili, Tengiz Machaladze, Mzia Khundadze

Abstract:

Standard Gibbs energy of formation ΔGfor(298.15) of lanthanide-iron double oxides of garnet-type crystal structure R3Fe5O12 - RIG (R – are rare earth ions) from initial oxides are evaluated. The calculation is based on the data of standard entropies S298.15 and standard enthalpies ΔH298.15 of formation of compounds which are involved in the process of garnets synthesis. Gibbs energy of formation is presented as temperature function ΔGfor(T) for the range 300-1600K. The necessary starting thermodynamic data were obtained from calorimetric study of heat capacity – temperature functions and by using the semi-empirical method for calculation of ΔH298.15 of formation. Thermodynamic functions for standard temperature – enthalpy, entropy and Gibbs energy - are recommended as reference data for technological evaluations. Through the isostructural series of rare earth-iron garnets the correlation between thermodynamic properties and characteristics of lanthanide ions are elucidated.

Keywords: calorimetry, entropy, enthalpy, heat capacity, gibbs energy of formation, rare earth iron garnets

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3132 Separation of Lanthanides Ions from Mineral Waste with Functionalized Pillar[5]Arenes: Synthesis, Physicochemical Characterization and Molecular Dynamics Studies

Authors: Ariesny Vera, Rodrigo Montecinos

Abstract:

The rare-earth elements (REEs) or rare-earth metals (REMs), correspond to seventeen chemical elements composed by the fifteen lanthanoids, as well as scandium and yttrium. Lanthanoids corresponds to lanthanum and the f-block elements, from cerium to lutetium. Scandium and yttrium are considered rare-earth elements because they have ionic radii similar to the lighter f-block elements. These elements were called rare earths because they are simply more difficult to extract and separate individually than the most metals and, generally, they do not accumulate in minerals, they are rarely found in easily mined ores and are often unfavorably distributed in common ores/minerals. REEs show unique chemical and physical properties, in comparison to the other metals in the periodic table. Nowadays, these physicochemical properties are utilized in a wide range of synthetic, catalytic, electronic, medicinal, and military applications. Because of their applications, the global demand for rare earth metals is becoming progressively more important in the transition to a self-sustaining society and greener economy. However, due to the difficult separation between lanthanoid ions, the high cost and pollution of these processes, the scientists search the development of a method that combines selectivity and quantitative separation of lanthanoids from the leaching liquor, while being more economical and environmentally friendly processes. This motivation has favored the design and development of more efficient and environmentally friendly cation extractors with the incorporation of compounds as ionic liquids, membrane inclusion polymers (PIM) and supramolecular systems. Supramolecular chemistry focuses on the development of host-guest systems, in which a host molecule can recognize and bind a certain guest molecule or ion. Normally, the formation of a host-guest complex involves non-covalent interactions Additionally, host-guest interactions can be influenced among others effects by the structural nature of host and guests. The different macrocyclic hosts for lanthanoid species that have been studied are crown ethers, cyclodextrins, cucurbituryls, calixarenes and pillararenes.Among all the factors that can influence and affect lanthanoid (III) coordination, perhaps the most basic of them is the systematic control using macrocyclic substituents that promote a selective coordination. In this sense, macrocycles pillar[n]arenes (P[n]As) present a relatively easy functionalization and they have more π-rich cavity than other host molecules. This gives to P[n]As a negative electrostatic potential in the cavity which would be responsible for the selectivity of these compounds towards cations. Furthermore, the cavity size, the linker, and the functional groups of the polar headgroups could be modified in order to control the association of lanthanoid cations. In this sense, different P[n]As systems, specifically derivatives of the pentamer P[5]A functionalized with amide, amine, phosphate and sulfate derivatives, have been designed in terms of experimental synthesis and molecular dynamics, and the interaction between these P[5]As and some lanthanoid ions such as La³+, Eu³+ and Lu³+ has been studied by physicochemical characterization by 1H-NMR, ITC and fluorescence in the case of Eu³+ systems. The molecular dynamics study of these systems was developed in hexane as solvent, also taking into account the lanthanoid ions mentioned above, and the respective comparison studies between the different ions.

Keywords: lanthanoids, macrocycles, pillar[n]arenes, rare-earth metal extraction, supramolecular chemistry, supramolecular complexes.

Procedia PDF Downloads 58