Search results for: magnetic monopole
33 Evaluation of Heterogeneity of Paint Coating on Metal Substrate Using Laser Infrared Thermography and Eddy Current
Authors: S. Mezghani, E. Perrin, J. L Bodnar, J. Marthe, B. Cauwe, V. Vrabie
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Non contact evaluation of the thickness of paint coatings can be attempted by different destructive and nondestructive methods such as cross-section microscopy, gravimetric mass measurement, magnetic gauges, Eddy current, ultrasound or terahertz. Infrared thermography is a nondestructive and non-invasive method that can be envisaged as a useful tool to measure the surface thickness variations by analyzing the temperature response. In this paper, the thermal quadrupole method for two layered samples heated up with a pulsed excitation is firstly used. By analyzing the thermal responses as a function of thermal properties and thicknesses of both layers, optimal parameters for the excitation source can be identified. Simulations show that a pulsed excitation with duration of ten milliseconds allows obtaining a substrate-independent thermal response. Based on this result, an experimental setup consisting of a near-infrared laser diode and an Infrared camera was next used to evaluate the variation of paint coating thickness between 60 μm and 130 μm on two samples. Results show that the parameters extracted for thermal images are correlated with the estimated thicknesses by the Eddy current methods. The laser pulsed thermography is thus an interesting alternative nondestructive method that can be moreover used for nonconductive substrates.Keywords: Nondestructive, paint coating, thickness, infrared thermography, laser, heterogeneity.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 206532 A Structural and Magnetic Investigation of the Inversion Degree in Spinel NiFe2O4, ZnFe2O4 and Ni0.5Zn0.5Fe2O4 Ferrites Prepared by Soft Mechanochemical Synthesis
Authors: Z. Ž. Lazarević, D. L. Sekulić, V. N. Ivanovski, N. Ž. Romčević
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NiFe2O4 (nickel ferrite), ZnFe2O4 (zinc ferrite) and Ni0.5Zn0.5Fe2O4 (nickel-zinc ferrite) were prepared by mechanochemical route in a planetary ball mill starting from mixture of the appropriate quantities of the Ni(OH)2/Fe(OH)3, Zn(OH)2/Fe(OH)3 and Ni(OH)2/Zn(OH)2/Fe(OH)3 hydroxide powders. In order to monitor the progress of chemical reaction and confirm phase formation, powder samples obtained after 25 h, 18 h and 10 h of milling were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), IR, Raman and Mössbauer spectroscopy. It is shown that the soft mechanochemical method, i.e. mechanochemical activation of hydroxides, produces high quality single phase ferrite samples in much more efficient way. From the IR spectroscopy of single phase samples it is obvious that energy of modes depends on the ratio of cations. It is obvious that all samples have more than 5 Raman active modes predicted by group theory in the normal spinel structure. Deconvolution of measured spectra allows one to conclude that all complex bands in the spectra are made of individual peaks with the intensities that vary from spectrum to spectrum. The deconvolution of Raman spectra allows to separate contributions of different cations to a particular type of vibration and to estimate the degree of inversion.Keywords: Ferrites, Raman spectroscopy, IR spectroscopy, Mössbauer measurements.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 297431 The Didactic Transposition in Brazilian High School Physics Textbooks: A Comparative Study of Didactic Materials
Authors: Leandro Marcos Alves Vaz
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In this article, we analyze the different approaches to the topic Magnetism of Matter in physics textbooks of Brazilian schools. For this, we compared the approach to the concepts of the magnetic characteristics of materials (diamagnetism, paramagnetism, ferromagnetism and antiferromagnetism) in different sources of information and in different levels of education, from Higher Education to High School. In this sense, we used as reference the theory of the Didactic Transposition of Yves Chevallard, a French educational theorist, who conceived in his theory three types of knowledge – Scholarly Knowledge, Knowledge to be taught and Taught Knowledge – related to teaching practice. As a research methodology, from the reading of the works used in teacher training and those destined to basic education students, we compared the treatment of a higher education physics book, a scientific article published in a Brazilian journal of the educational area, and four high school textbooks, in order to establish in which there is a greater or lesser degree of approximation with the knowledge produced by the scholars – scholarly knowledge – or even with the knowledge to be taught (to that found in books intended for teaching). Thus, we evaluated the level of proximity of the subjects conveyed in high school and higher education, as well as the relevance that some textbook authors give to the theme.Keywords: Magnetism of matter, teaching of physics, didactic transposition, Brazilian physics books.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 125430 Uniform Overlapped Multi-Carrier PWM for a Six-Level Diode Clamped Inverter
Authors: S.Srinivas
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Multi-level voltage source inverters offer several advantages such as; derivation of a refined output voltage with reduced total harmonic distortion (THD), reduction of voltage ratings of the power semiconductor switching devices and also the reduced electro-magnetic-interference problems etc. In this paper, new carrier-overlapped phase-disposition or sub-harmonic sinusoidal pulse width modulation (CO-PD-SPWM) and also the carrieroverlapped phase-disposition space vector modulation (CO-PDSVPWM) schemes for a six-level diode-clamped inverter topology are proposed. The principle of the proposed PWM schemes is similar to the conventional PD-PWM with a little deviation from it in the sense that the triangular carriers are all overlapped. The overlapping of the triangular carriers on one hand results in an increased number of switchings, on the other hand this facilitates an improved spectral performance of the output voltage. It is demonstrated through simulation studies that the six-level diode-clamped inverter with the use of CO-PD-SPWM and CO-PD-SVPWM proposed in this paper is capable of generating multiple levels in its output voltage. The advantages of the proposed PWM schemes can be derived to benefit, especially at lower modulation indices of the inverter and hence this aspect of the proposed PWM schemes can be well exploited in high power applications requiring low speeds of operation of the drive.Keywords: Diode clamped inverter, Pulse width modulation, Six level inverter, carrier based PWM.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 190529 Deposition Rate and Energy Enhancements of TiN Thin-Film in a Magnetized Sheet Plasma Source
Authors: Hamdi Muhyuddin D. Barra, Henry J. Ramos
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Titanium nitride (TiN) has been synthesized using the sheet plasma negative ion source (SPNIS). The parameters used for its effective synthesis has been determined from previous experiments and studies. In this study, further enhancement of the deposition rate of TiN synthesis and advancement of the SPNIS operation is presented. This is primarily achieved by the addition of Sm-Co permanent magnets and a modification of the configuration in the TiN deposition process. The magnetic enhancement is aimed at optimizing the sputtering rate and the sputtering yield of the process. The Sm-Co permanent magnets are placed below the Ti target for better sputtering by argon. The Ti target is biased from –250V to – 350V and is sputtered by Ar plasma produced at discharge current of 2.5–4A and discharge potential of 60–90V. Steel substrates of dimensions 20x20x0.5mm3 were prepared with N2:Ar volumetric ratios of 1:3, 1:5 and 1:10. Ocular inspection of samples exhibit bright gold color associated with TiN. XRD characterization confirmed the effective TiN synthesis as all samples exhibit the (200) and (311) peaks of TiN and the non-stoichiometric Ti2N (220) facet. Cross-sectional SEM results showed increase in the TiN deposition rate of up to 0.35μm/min. This doubles what was previously obtained [1]. Scanning electron micrograph results give a comparative morphological picture of the samples. Vickers hardness results gave the largest hardness value of 21.094GPa.Keywords: Chemical vapor deposition, Magnetized sheetplasma, Thin-film synthesis, Titanium nitride.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 165428 Investigating Polynomial Interpolation Functions for Zooming Low Resolution Digital Medical Images
Authors: Maninder Pal
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Medical digital images usually have low resolution because of nature of their acquisition. Therefore, this paper focuses on zooming these images to obtain better level of information, required for the purpose of medical diagnosis. For this purpose, a strategy for selecting pixels in zooming operation is proposed. It is based on the principle of analog clock and utilizes a combination of point and neighborhood image processing. In this approach, the hour hand of clock covers the portion of image to be processed. For alignment, the center of clock points at middle pixel of the selected portion of image. The minute hand is longer in length, and is used to gain information about pixels of the surrounding area. This area is called neighborhood pixels region. This information is used to zoom the selected portion of the image. The proposed algorithm is implemented and its performance is evaluated for many medical images obtained from various sources such as X-ray, Computerized Tomography (CT) scan and Magnetic Resonance Imaging (MRI). However, for illustration and simplicity, the results obtained from a CT scanned image of head is presented. The performance of algorithm is evaluated in comparison to various traditional algorithms in terms of Peak signal-to-noise ratio (PSNR), maximum error, SSIM index, mutual information and processing time. From the results, the proposed algorithm is found to give better performance than traditional algorithms.
Keywords: Zooming, interpolation, medical images, resolution.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 156327 MHD Chemically Reacting Viscous Fluid Flow towards a Vertical Surface with Slip and Convective Boundary Conditions
Authors: Ibrahim Yakubu Seini, Oluwole Daniel Makinde
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MHD chemically reacting viscous fluid flow towards a vertical surface with slip and convective boundary conditions has been conducted. The temperature and the chemical species concentration of the surface and the velocity of the external flow are assumed to vary linearly with the distance from the vertical surface. The governing differential equations are modeled and transformed into systems of ordinary differential equations, which are then solved numerically by a shooting method. The effects of various parameters on the heat and mass transfer characteristics are discussed. Graphical results are presented for the velocity, temperature, and concentration profiles whilst the skin-friction coefficient and the rate of heat and mass transfers near the surface are presented in tables and discussed. The results revealed that increasing the strength of the magnetic field increases the skin-friction coefficient and the rate of heat and mass transfers toward the surface. The velocity profiles are increased towards the surface due to the presence of the Lorenz force, which attracts the fluid particles near the surface. The rate of chemical reaction is seen to decrease the concentration boundary layer near the surface due to the destructive chemical reaction occurring near the surface.Keywords: Boundary layer, surface slip, MHD flow, chemical reaction, heat transfer, mass transfer.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 222826 Enhanced Efficacy of Kinetic Power Transform for High-Speed Wind Field
Authors: Nan-Chyuan Tsai, Chao-Wen Chiang, Bai-Lu Wang
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The three-time-scale plant model of a wind power generator, including a wind turbine, a flexible vertical shaft, a Variable Inertia Flywheel (VIF) module, an Active Magnetic Bearing (AMB) unit and the applied wind sequence, is constructed. In order to make the wind power generator be still able to operate as the spindle speed exceeds its rated speed, the VIF is equipped so that the spindle speed can be appropriately slowed down once any stronger wind field is exerted. To prevent any potential damage due to collision by shaft against conventional bearings, the AMB unit is proposed to regulate the shaft position deviation. By singular perturbation order-reduction technique, a lower-order plant model can be established for the synthesis of feedback controller. Two major system parameter uncertainties, an additive uncertainty and a multiplicative uncertainty, are constituted by the wind turbine and the VIF respectively. Frequency Shaping Sliding Mode Control (FSSMC) loop is proposed to account for these uncertainties and suppress the unmodeled higher-order plant dynamics. At last, the efficacy of the FSSMC is verified by intensive computer and experimental simulations for regulation on position deviation of the shaft and counter-balance of unpredictable wind disturbance.Keywords: Sliding Mode Control, Singular Perturbation, Variable Inertia Flywheel.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 144925 The Effects of Increasing Unsaturation in Palm Oil and Incorporation of Carbon Nanotubes on Resinous Properties
Authors: Muhammad R. Islam, Mohammad Dalour H. Beg, Saidatul S. Jamari
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Considering palm oil as non-drying oil owing to its low iodine value, an attempt was taken to increase the unsaturation in the fatty acid chains of palm oil for the preparation of alkyds. To increase the unsaturation in the palm oil, sulphuric acid (SA) and para-toluene sulphonic acid (PTSA) was used prior to alcoholysis for the dehydration process. The iodine number of the oil samples was checked for the unsaturation measurement by Wijs method. Alkyd resin was prepared using the dehydrated palm oil by following alcoholysis and esterification reaction. To improve the film properties 0.5wt.% multi-wall carbon nano tubes (MWCNTs) were used to manufacture polymeric film. The properties of the resins were characterized by various physico-chemical properties such as density, viscosity, iodine value, saponification value, etc. Structural elucidation was confirmed by Fourier transform of infrared spectroscopy and proton nuclear magnetic resonance; surfaces of the films were examined by field-emission scanning electron microscope. In addition, pencil hardness and chemical resistivity was also measured by using standard methods. The effect of enhancement of the unsaturation in the fatty acid chain found significant and motivational. The resin prepared with dehydrated palm oil showed improved properties regarding hardness and chemical resistivity testing. The incorporation of MWCNTs enhanced the thermal stability and hardness of the films as well.
Keywords: Alkyd resin, nano-coatings, dehydration, palm oil.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 243624 Neurological Manifestations in Patients with HIV Infection in the Era of Combined Antiretroviral Therapy
Authors: Sharan Badiger, Prema T. Akkasaligar, Deepak Kadeli, M. Vishok
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Neurological disorders are the most debilitating of manifestations seen in patients infected with HIV. The clinical profile of neurological manifestations in HIV patients has undergone a shift in recent years with opportunistic infections being controlled with combination anti-retroviral therapy and the advent of drugs which have higher central nervous system penetrability. The aim of this paper is to study the clinical, investigation profile and various neurological disorders in HIV patients on anti‐retroviral therapy. Fifty HIV patients with neurological manifestations were studied. A complete neurological examination including neurocognitive functioning using Montreal Cognitive Assessment and HIV Dementia scale were assessed. Apart from relevant investigations, CD4 count, cerebrovascular fluid analysis, computed tomography (CT) and magnetic resonance imaging (MRI) of brain were done whenever required. Neurocognitive disorders formed the largest group with 42% suffering from HIV associated Neurocognitive Disorders. Among them, asymptomatic neurocognitive impairment was seen in 28%; mild neurocognitive disorder in 12%, and 2% had HIV‐associated dementia. Opportunistic infections of the nervous system accounted for 32%, with meningitis being the most common. Four patients had space occupying lesions of central nervous system; four tuberculomas, and one toxoplasmosis. With the advent of highly active retroviral therapy, HIV patients have longer life spans with suppression of viral load leading to decrease in opportunistic infections of the nervous system. Neurocognitive disorders are now the most common neurological dysfunction seen and thus neurocognitive assessment must be done in all patients with HIV.
Keywords: Anti retroviral therapy, cognitive dysfunction, dementia, neurological manifestations, opportunistic infections.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 165223 Estimation of Attenuation and Phase Delay in Driving Voltage Waveform of a Digital-Noiseless, Ultra-High-Speed Image Sensor
Authors: V. T. S. Dao, T. G. Etoh, C. Vo Le, H. D. Nguyen, K. Takehara, T. Akino, K. Nishi
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Since 2004, we have been developing an in-situ storage image sensor (ISIS) that captures more than 100 consecutive images at a frame rate of 10 Mfps with ultra-high sensitivity as well as the video camera for use with this ISIS. Currently, basic research is continuing in an attempt to increase the frame rate up to 100 Mfps and above. In order to suppress electro-magnetic noise at such high frequency, a digital-noiseless imaging transfer scheme has been developed utilizing solely sinusoidal driving voltages. This paper presents highly efficient-yet-accurate expressions to estimate attenuation as well as phase delay of driving voltages through RC networks of an ultra-high-speed image sensor. Elmore metric for a fundamental RC chain is employed as the first-order approximation. By application of dimensional analysis to SPICE data, we found a simple expression that significantly improves the accuracy of the approximation. Similarly, another simple closed-form model to estimate phase delay through fundamental RC networks is also obtained. Estimation error of both expressions is much less than previous works, only less 2% for most of the cases . The framework of this analysis can be extended to address similar issues of other VLSI structures.
Keywords: Dimensional Analysis, ISIS, Digital-noiseless, RC network, Attenuation, Phase Delay, Elmore model
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 144722 Effects of Boron Compounds in Rabbits Fed High Protein and Energy Diet: A Metabolomic and Transcriptomic Approach
Authors: N. Baspinar, A. Basoglu, O. Ozdemir, C. Ozel, F. Terzi, O. Yaman
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Current research is targeting new molecular mechanisms that underlie non-alcoholic fatty liver disease (NAFLD) and associated metabolic disorders like non-alcoholic steatohepatitis (NASH). Forty New Zealand White rabbits have been used and fed a high protein (HP) and energy diet based on grains and containing 11.76 MJ/kg. Boron added to 3 experimental groups’ drinking waters (30 mg boron/L) as boron compounds. Biochemical analysis including boron levels, and nuclear magnetic resonance (NMR) based metabolomics evaluation, and mRNA expression of peroxisome proliferator-activated receptor (PPAR) family was performed. LDLcholesterol concentrations alone were decreased in all the experimental groups. Boron levels in serum and feces were increased. Content of acetate was in about 2x higher for anhydrous borax group, at least 3x higher for boric acid group. PPARα mRNA expression was significantly decreased in boric acid group. Anhydrous borax attenuated mRNA levels of PPARγ, which was further suppressed by boric acid. Boron supplementation decreased the degenerative alterations in hepatocytes. Except borax group other boron groups did not have a pronounced change in tubular epithels of kidney. In conclusion, high protein and energy diet leads hepatocytes’ degenerative changes which can be prevented by boron supplementation. Boric acid seems to be more effective in this situation.Keywords: High protein and energy diet, boron, metabolomic, transcriptomic.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 198521 Optimal Efficiency Control of Pulse Width Modulation - Inverter Fed Motor Pump Drive Using Neural Network
Authors: O. S. Ebrahim, M. A. Badr, A. S. Elgendy, K. O. Shawky, P. K. Jain
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This paper demonstrates an improved Loss Model Control (LMC) for a 3-phase induction motor (IM) driving pump load. Compared with other power loss reduction algorithms for IM, the presented one has the advantages of fast and smooth flux adaptation, high accuracy, and versatile implementation. The performance of LMC depends mainly on the accuracy of modeling the motor drive and losses. A loss-model for IM drive that considers the surplus power loss caused by inverter voltage harmonics using closed-form equations and also includes the magnetic saturation has been developed. Further, an Artificial Neural Network (ANN) controller is synthesized and trained offline to determine the optimal flux level that achieves maximum drive efficiency. The drive’s voltage and speed control loops are connecting via the stator frequency to avoid the possibility of excessive magnetization. Besides, the resistance change due to temperature is considered by a first-order thermal model. The obtained thermal information enhances motor protection and control. These together have the potential of making the proposed algorithm reliable. Simulation and experimental studies are performed on 5.5 kW test motor using the proposed control method. The test results are provided and compared with the fixed flux operation to validate the effectiveness.
Keywords: Artificial neural network, ANN, efficiency optimization, induction motor, IM, Pulse Width Modulated, PWM, harmonic losses.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 33020 Waste-Based Surface Modification to Enhance Corrosion Resistance of Aluminium Bronze Alloy
Authors: Wilson Handoko, Farshid Pahlevani, Isha Singla, Himanish Kumar, Veena Sahajwalla
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Aluminium bronze alloys are well known for their superior abrasion, tensile strength and non-magnetic properties, due to the co-presence of iron (Fe) and aluminium (Al) as alloying elements and have been commonly used in many industrial applications. However, continuous exposure to the marine environment will accelerate the risk of a tendency to Al bronze alloys parts failures. Although a higher level of corrosion resistance properties can be achieved by modifying its elemental composition, it will come at a price through the complex manufacturing process and increases the risk of reducing the ductility of Al bronze alloy. In this research, the use of ironmaking slag and waste plastic as the input source for surface modification of Al bronze alloy was implemented. Microstructural analysis conducted using polarised light microscopy and scanning electron microscopy (SEM) that is equipped with energy dispersive spectroscopy (EDS). An electrochemical corrosion test was carried out through Tafel polarisation method and calculation of protection efficiency against the base-material was determined. Results have indicated that uniform modified surface which is as the result of selective diffusion process, has enhanced corrosion resistance properties up to 12.67%. This approach has opened a new opportunity to access various industrial utilisations in commercial scale through minimising the dependency on natural resources by transforming waste sources into the protective coating in environmentally friendly and cost-effective ways.
Keywords: Aluminium bronze, waste-based surface modification, Tafel polarisation, corrosion resistance.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 103719 Investigation of the Operational Principle and Flow Analysis of a Newly Developed Dry Separator
Authors: Sung Uk Park, Young Su Kang, Sangmo Kang, Yong Kweon Suh
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Mineral product, waste concrete (fine aggregates), waste in the optical field, industry, and construction employ separators to separate solids and classify them according to their size. Various sorting machines are used in the industrial field such as those operating under electrical properties, centrifugal force, wind power, vibration, and magnetic force. Study on separators has been carried out to contribute to the environmental industry. In this study, we perform CFD analysis for understanding the basic mechanism of the separation of waste concrete (fine aggregate) particles from air with a machine built with a rotor with blades. In CFD, we first performed two-dimensional particle tracking for various particle sizes for the model with 1 degree, 1.5 degree, and 2 degree angle between each blade to verify the boundary conditions and the method of rotating domain method to be used in 3D. Then we developed 3D numerical model with ANSYS CFX to calculate the air flow and track the particles. We judged the capability of particle separation for given size by counting the number of particles escaping from the domain toward the exit among 10 particles issued at the inlet. We confirm that particles experience stagnant behavior near the exit of the rotating blades where the centrifugal force acting on the particles is in balance with the air drag force. It was also found that the minimum particle size that can be separated by the machine with the rotor is determined by its capability to stay at the outlet of the rotor channels.Keywords: Environmental industry, Separator, CFD, Fine aggregate.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 179818 Development of a Wall Climbing Robotic Ground Penetrating Radar System for Inspection of Vertical Concrete Structures
Authors: Md Omar Faruq Howlader, Tariq Pervez Sattar, Sandra Dudley
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This paper describes the design process of a 200 MHz Ground Penetrating Radar (GPR) and a battery powered concrete vertical concrete surface climbing mobile robot. The key design feature is a miniaturized 200 MHz dipole antenna using additional radiating arms and procedure records a reduction of 40% in length compared to a conventional antenna. The antenna set is mounted in front of the robot using a servo mechanism for folding and unfolding purposes. The robot’s adhesion mechanism to climb the reinforced concrete wall is based on neodymium permanent magnets arranged in a unique combination to concentrate and maximize the magnetic flux to provide sufficient adhesion force for GPR installation. The experiments demonstrated the robot’s capability of climbing reinforced concrete wall carrying the attached prototype GPR system and perform floor-to-wall transition and vice versa. The developed GPR’s performance is validated by its capability of detecting and localizing an aluminium sheet and a reinforcement bar (rebar) of 12 mm diameter buried under a test rig built of wood to mimic the concrete structure environment. The present robotic GPR system proves the concept of feasibility of undertaking inspection procedure on large concrete structures in hazardous environments that may not be accessible to human inspectors.Keywords: Climbing robot, dipole antenna, Ground Penetrating Radar (GPR), mobile robots, robotic GPR.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 144217 Estimation and Removal of Chlorophenolic Compounds from Paper Mill Waste Water by Electrochemical Treatment
Authors: R. Sharma, S. Kumar, C. Sharma
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A number of toxic chlorophenolic compounds are formed during pulp bleaching. The nature and concentration of these chlorophenolic compounds largely depends upon the amount and nature of bleaching chemicals used. These compounds are highly recalcitrant and difficult to remove but are partially removed by the biochemical treatment processes adopted by the paper industry. Identification and estimation of these chlorophenolic compounds has been carried out in the primary and secondary clarified effluents from the paper mill by GCMS. Twenty-six chorophenolic compounds have been identified and estimated in paper mill waste waters. Electrochemical treatment is an efficient method for oxidation of pollutants and has successfully been used to treat textile and oil waste water. Electrochemical treatment using less expensive anode material, stainless steel electrodes has been tried to study their removal. The electrochemical assembly comprised a DC power supply, a magnetic stirrer and stainless steel (316 L) electrode. The optimization of operating conditions has been carried out and treatment has been performed under optimized treatment conditions. Results indicate that 68.7% and 83.8% of cholorphenolic compounds are removed during 2 h of electrochemical treatment from primary and secondary clarified effluent respectively. Further, there is a reduction of 65.1, 60 and 92.6% of COD, AOX and color, respectively for primary clarified and 83.8%, 75.9% and 96.8% of COD, AOX and color, respectively for secondary clarified effluent. EC treatment has also been found to increase significantly the biodegradability index of wastewater because of conversion of non- biodegradable fraction into biodegradable fraction. Thus, electrochemical treatment is an efficient method for the degradation of cholorophenolic compounds, removal of color, AOX and other recalcitrant organic matter present in paper mill waste water.
Keywords: Chlorophenolics, effluent, electrochemical treatment, wastewater.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 188616 The Benefits of End-To-End Integrated Planning from the Mine to Client Supply for Minimizing Penalties
Authors: G. Martino, F. Silva, E. Marchal
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The control over delivered iron ore blend characteristics is one of the most important aspects of the mining business. The iron ore price is a function of its composition, which is the outcome of the beneficiation process. So, end-to-end integrated planning of mine operations can reduce risks of penalties on the iron ore price. In a standard iron mining company, the production chain is composed of mining, ore beneficiation, and client supply. When mine planning and client supply decisions are made uncoordinated, the beneficiation plant struggles to deliver the best blend possible. Technological improvements in several fields allowed bridging the gap between departments and boosting integrated decision-making processes. Clusterization and classification algorithms over historical production data generate reasonable previsions for quality and volume of iron ore produced for each pile of run-of-mine (ROM) processed. Mathematical modeling can use those deterministic relations to propose iron ore blends that better-fit specifications within a delivery schedule. Additionally, a model capable of representing the whole production chain can clearly compare the overall impact of different decisions in the process. This study shows how flexibilization combined with a planning optimization model between the mine and the ore beneficiation processes can reduce risks of out of specification deliveries. The model capabilities are illustrated on a hypothetical iron ore mine with magnetic separation process. Finally, this study shows ways of cost reduction or profit increase by optimizing process indicators across the production chain and integrating the different plannings with the sales decisions.Keywords: Clusterization and classification algorithms, integrated planning, optimization, mathematical modeling, penalty minimization.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 62815 Replicating Brain’s Resting State Functional Connectivity Network Using a Multi-Factor Hub-Based Model
Authors: B. L. Ho, L. Shi, D. F. Wang, V. C. T. Mok
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The brain’s functional connectivity while temporally non-stationary does express consistency at a macro spatial level. The study of stable resting state connectivity patterns hence provides opportunities for identification of diseases if such stability is severely perturbed. A mathematical model replicating the brain’s spatial connections will be useful for understanding brain’s representative geometry and complements the empirical model where it falls short. Empirical computations tend to involve large matrices and become infeasible with fine parcellation. However, the proposed analytical model has no such computational problems. To improve replicability, 92 subject data are obtained from two open sources. The proposed methodology, inspired by financial theory, uses multivariate regression to find relationships of every cortical region of interest (ROI) with some pre-identified hubs. These hubs acted as representatives for the entire cortical surface. A variance-covariance framework of all ROIs is then built based on these relationships to link up all the ROIs. The result is a high level of match between model and empirical correlations in the range of 0.59 to 0.66 after adjusting for sample size; an increase of almost forty percent. More significantly, the model framework provides an intuitive way to delineate between systemic drivers and idiosyncratic noise while reducing dimensions by more than 30 folds, hence, providing a way to conduct attribution analysis. Due to its analytical nature and simple structure, the model is useful as a standalone toolkit for network dependency analysis or as a module for other mathematical models.Keywords: Functional magnetic resonance imaging, multivariate regression, network hubs, resting state functional connectivity.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 79114 Measurements of MRI R2* Relaxation Rate in Liver and Muscle: Animal Model
Authors: Chiung-Yun Chang, Po-Chou Chen, Jiun-Shiang Tzeng, Ka-Wai Mac, Chia-Chi Hsiao, Jo-Chi Jao
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This study was aimed to measure effective transverse relaxation rates (R2*) in the liver and muscle of normal New Zealand White (NZW) rabbits. R2* relaxation rate has been widely used in various hepatic diseases for iron overload by quantifying iron contents in liver. R2* relaxation rate is defined as the reciprocal of T2* relaxation time and mainly depends on the constituents of tissue. Different tissues would have different R2* relaxation rates. The signal intensity decay in Magnetic resonance imaging (MRI) may be characterized by R2* relaxation rates. In this study, a 1.5T GE Signa HDxt whole body MR scanner equipped with an 8-channel high resolution knee coil was used to observe R2* values in NZW rabbit’s liver and muscle. Eight healthy NZW rabbits weighted 2 ~ 2.5 kg were recruited. After anesthesia using Zoletil 50 and Rompun 2% mixture, the abdomen of rabbit was landmarked at the center of knee coil to perform 3-plane localizer scan using fast spoiled gradient echo (FSPGR) pulse sequence. Afterwards, multi-planar fast gradient echo (MFGR) scans were performed with 8 various echo times (TEs) to acquire images for R2* measurements. Regions of interest (ROIs) at liver and muscle were measured using Advantage workstation. Finally, the R2* was obtained by a linear regression of ln(sı) on TE. The results showed that the longer the echo time, the smaller the signal intensity. The R2* values of liver and muscle were 44.8 ± 10.9 s-1 and 37.4 ± 9.5 s-1, respectively. It implies that the iron concentration of liver is higher than that of muscle. In conclusion, the more the iron contents in tissue, the higher the R2*. The correlations between R2* and iron content in NZW rabbits might be valuable for further exploration.Keywords: Liver, MRI, multi-planar fast gradient echo, muscle, R2* relaxation rate.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 213713 Evaluation of the Discoloration of Methyl Orange Using Black Sand as Semiconductor through Photocatalytic Oxidation and Reduction
Authors: P. Acosta-Santamaría, A. Ibatá-Soto, A. López-Vásquez
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Organic compounds in wastewaters coming from textile and pharmaceutical industry generated multiple harmful effects on the environment and the human health. One of them is the methyl orange (MeO), an azoic dye considered to be a recalcitrant compound. The heterogeneous photocatalysis emerges as an alternative for treating this type of hazardous compounds, through the generation of OH radicals using radiation and a semiconductor oxide. According to the author’s knowledge, catalysts such as TiO2 doped with metals show high efficiency in degrading MeO; however, this presents economic limitations on industrial scale. Black sand can be considered as a naturally doped catalyst because in its structure is common to find compounds such as titanium, iron and aluminum oxides, also elements such as zircon, cadmium, manganese, etc. This study reports the photocatalytic activity of the mineral black sand used as semiconductor in the discoloration of MeO by oxidation and reduction photocatalytic techniques. For this, magnetic composites from the mineral were prepared (RM, M1, M2 and NM) and their activity were tested through MeO discoloration while TiO2 was used as reference. For the fractions, chemical, morphological and structural characterizations were performed using Scanning Electron Microscopy with Energy Dispersive X-Ray (SEM-EDX), X-Ray Diffraction (XRD) and X-Ray Fluorescence (XRF) analysis. M2 fraction showed higher MeO discoloration (93%) in oxidation conditions at pH 2 and it could be due to the presence of ferric oxides. However, the best result to reduction process was using M1 fraction (20%) at pH 2, which contains a higher titanium percentage. In the first process, hydrogen peroxide (H2O2) was used as electron donor agent. According to the results, black sand mineral can be used as natural semiconductor in photocatalytic process. It could be considered as a photocatalyst precursor in such processes, due to its low cost and easy access.
Keywords: Black sand mineral, methyl orange, oxidation, photocatalysis, reduction.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 125512 Comparative in silico and in vitro Study of N-(1- Methyl-2-Oxo-2-N-Methyl Anilino-Ethyl) Benzene Sulfonamide and Its Analogues as an Anticancer Agent
Authors: Pamita Awasthi, Kirna, Shilpa Dogra, Manu Vatsal, Ritu Barthwal
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Doxorubicin, also known as Adriamycin, is an anthracycline class of drug used in cancer chemotherapy. It is used in the treatment of non-Hodgkin’s lymphoma, multiple myeloma, acute leukemia, breast cancer, lung cancer, endometrium cancer and ovary cancers. It functions via intercalating DNA and ultimately killing cancer cells. The major side effects of doxorubicin are hair loss, myelosuppression, nausea & vomiting, oesophagitis, diarrhea, heart damage and liver dysfunction. The minor modifications in the structure of compound exhibit large variation in the biological activity, has prompted us to carry out the synthesis of sulfonamide derivatives. Sulfonamide is an important feature with broad spectrum of biological activity such as antiviral, antifungal, diuretics, antiinflammatory, antibacterial and anticancer activities. Structure of the synthesized compound N-(1-methyl-2-oxo-2-N-methyl anilinoethyl) benzene sulfonamide confirmed by proton nuclear magnetic resonance (1H NMR),13C NMR, Mass and FTIR spectroscopic tools to assure the position of all protons and hence stereochemistry of the molecule. Further we have reported the binding potential of synthesized sulfonamide analogues in comparison to doxorubicin drug using Auto Dock 4.2 software. Computational binding energy (B.E.) and inhibitory constant (Ki) has been evaluated for the synthesized compound in comparison of doxorubicin against Poly (dA-dT).Poly (dA-dT) and Poly (dG-dC).Poly (dG-dC) sequences. The in vitro cytotoxic study against human breast cancer cell lines confirms the better anticancer activity of the synthesized compound over currently in use anticancer drug doxorubicin. The IC50 value of the synthesized compound is 7.12 μM whereas for doxorubicin is 7.2 μM.
Keywords: Anticancer, Auto Dock, Doxorubicin, Sulfonamide.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 233411 Lung Cancer Detection and Multi Level Classification Using Discrete Wavelet Transform Approach
Authors: V. Veeraprathap, G. S. Harish, G. Narendra Kumar
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Uncontrolled growth of abnormal cells in the lung in the form of tumor can be either benign (non-cancerous) or malignant (cancerous). Patients with Lung Cancer (LC) have an average of five years life span expectancy provided diagnosis, detection and prediction, which reduces many treatment options to risk of invasive surgery increasing survival rate. Computed Tomography (CT), Positron Emission Tomography (PET), and Magnetic Resonance Imaging (MRI) for earlier detection of cancer are common. Gaussian filter along with median filter used for smoothing and noise removal, Histogram Equalization (HE) for image enhancement gives the best results without inviting further opinions. Lung cavities are extracted and the background portion other than two lung cavities is completely removed with right and left lungs segmented separately. Region properties measurements area, perimeter, diameter, centroid and eccentricity measured for the tumor segmented image, while texture is characterized by Gray-Level Co-occurrence Matrix (GLCM) functions, feature extraction provides Region of Interest (ROI) given as input to classifier. Two levels of classifications, K-Nearest Neighbor (KNN) is used for determining patient condition as normal or abnormal, while Artificial Neural Networks (ANN) is used for identifying the cancer stage is employed. Discrete Wavelet Transform (DWT) algorithm is used for the main feature extraction leading to best efficiency. The developed technology finds encouraging results for real time information and on line detection for future research.
Keywords: ANN, DWT, GLCM, KNN, ROI, artificial neural networks, discrete wavelet transform, gray-level co-occurrence matrix, k-nearest neighbor, region of interest.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 94510 Biomechanical Prediction of Veins and Soft Tissues beneath Compression Stockings Using Fluid-Solid Interaction Model
Authors: Chongyang Ye, Rong Liu
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Elastic compression stockings (ECSs) have been widely applied in prophylaxis and treatment of chronic venous insufficiency of lower extremities. The medical function of ECS is to improve venous return and increase muscular pumping action to facilitate blood circulation, which is largely determined by the complex interaction between the ECS and lower limb tissues. Understanding the mechanical transmission of ECS along the skin surface, deeper tissues, and vascular system is essential to assess the effectiveness of the ECSs. In this study, a three-dimensional (3D) finite element (FE) model of the leg-ECS system integrated with a 3D fluid-solid interaction (FSI) model of the leg-vein system was constructed to analyze the biomechanical properties of veins and soft tissues under different ECS compression. The Magnetic Resonance Imaging (MRI) of the human leg was divided into three regions, including soft tissues, bones (tibia and fibula) and veins (peroneal vein, great saphenous vein, and small saphenous vein). The ECSs with pressure ranges from 15 to 26 mmHg (Classes I and II) were adopted in the developed FE-FSI model. The soft tissue was assumed as a Neo-Hookean hyperelastic model with the fixed bones, and the ECSs were regarded as an orthotropic elastic shell. The interfacial pressure and stress transmission were simulated by the FE model, and venous hemodynamics properties were simulated by the FSI model. The experimental validation indicated that the simulated interfacial pressure distributions were in accordance with the pressure measurement results. The developed model can be used to predict interfacial pressure, stress transmission, and venous hemodynamics exerted by ECSs and optimize the structure and materials properties of ECSs design, thus improving the efficiency of compression therapy.Keywords: Elastic compression stockings, fluid-solid interaction, tissue and vein properties, prediction.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 5919 Modeling and System Identification of a Variable Excited Linear Direct Drive
Authors: Heiko Weiß, Andreas Meister, Christoph Ament, Nils Dreifke
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Linear actuators are deployed in a wide range of applications. This paper presents the modeling and system identification of a variable excited linear direct drive (LDD). The LDD is designed based on linear hybrid stepper technology exhibiting the characteristic tooth structure of mover and stator. A three-phase topology provides the thrust force caused by alternating strengthening and weakening of the flux of the legs. To achieve best possible synchronous operation, the phases are commutated sinusoidal. Despite the fact that these LDDs provide high dynamics and drive forces, noise emission limits their operation in calm workspaces. To overcome this drawback an additional excitation of the magnetic circuit is introduced to LDD using additional enabling coils instead of permanent magnets. The new degree of freedom can be used to reduce force variations and related noise by varying the excitation flux that is usually generated by permanent magnets. Hence, an identified simulation model is necessary to analyze the effects of this modification. Especially the force variations must be modeled well in order to reduce them sufficiently. The model can be divided into three parts: the current dynamics, the mechanics and the force functions. These subsystems are described with differential equations or nonlinear analytic functions, respectively. Ordinary nonlinear differential equations are derived and transformed into state space representation. Experiments have been carried out on a test rig to identify the system parameters of the complete model. Static and dynamic simulation based optimizations are utilized for identification. The results are verified in time and frequency domain. Finally, the identified model provides a basis for later design of control strategies to reduce existing force variations.Keywords: Force variations, linear direct drive, modeling and system identification, variable excitation flux.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 10268 Resting-State Functional Connectivity Analysis Using an Independent Component Approach
Authors: Eric Jacob Bacon, Chaoyang Jin, Dianning He, Shuaishuai Hu, Lanbo Wang, Han Li, Shouliang Qi
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Refractory epilepsy is a complicated type of epilepsy that can be difficult to diagnose. Recent technological advancements have made resting-state functional magnetic resonance (rsfMRI) a vital technique for studying brain activity. However, there is still much to learn about rsfMRI. Investigating rsfMRI connectivity may aid in the detection of abnormal activities. In this paper, we propose studying the functional connectivity of rsfMRI candidates to diagnose epilepsy. 45 rsfMRI candidates, comprising 26 with refractory epilepsy and 19 healthy controls, were enrolled in this study. A data-driven approach known as Independent Component Analysis (ICA) was used to achieve our goal. First, rsfMRI data from both patients and healthy controls were analyzed using group ICA. The components that were obtained were then spatially sorted to find and select meaningful ones. A two-sample t-test was also used to identify abnormal networks in patients and healthy controls. Finally, based on the fractional amplitude of low-frequency fluctuations (fALFF), a chi-square statistic test was used to distinguish the network properties of the patient and healthy control groups. The two-sample t-test analysis yielded abnormal in the default mode network, including the left superior temporal lobe and the left supramarginal. The right precuneus was found to be abnormal in the dorsal attention network. In addition, the frontal cortex showed an abnormal cluster in the medial temporal gyrus. In contrast, the temporal cortex showed an abnormal cluster in the right middle temporal gyrus and the right fronto-operculum gyrus. Finally, the chi-square statistic test was significant, producing a p-value of 0.001 for the analysis. This study offers evidence that investigating rsfMRI connectivity provides an excellent diagnosis option for refractory epilepsy.
Keywords: Independent Component Analysis, Resting State Network, refractory epilepsy, rsfMRI.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2647 Design, Fabrication and Evaluation of MR Damper
Authors: A. Ashfak, A. Saheed, K. K. Abdul Rasheed, J. Abdul Jaleel
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This paper presents the design, fabrication and evaluation of magneto-rheological damper. Semi-active control devices have received significant attention in recent years because they offer the adaptability of active control devices without requiring the associated large power sources. Magneto-Rheological (MR) dampers are semi- active control devices that use MR fluids to produce controllable dampers. They potentially offer highly reliable operation and can be viewed as fail-safe in that they become passive dampers if the control hardware malfunction. The advantage of MR dampers over conventional dampers are that they are simple in construction, compromise between high frequency isolation and natural frequency isolation, they offer semi-active control, use very little power, have very quick response, has few moving parts, have a relax tolerances and direct interfacing with electronics. Magneto- Rheological (MR) fluids are Controllable fluids belonging to the class of active materials that have the unique ability to change dynamic yield stress when acted upon by an electric or magnetic field, while maintaining viscosity relatively constant. This property can be utilized in MR damper where the damping force is changed by changing the rheological properties of the fluid magnetically. MR fluids have a dynamic yield stress over Electro-Rheological fluids (ER) and a broader operational temperature range. The objective of this papert was to study the application of an MR damper to vibration control, design the vibration damper using MR fluids, test and evaluate its performance. In this paper the Rheology and the theory behind MR fluids and their use on vibration control were studied. Then a MR vibration damper suitable for vehicle suspension was designed and fabricated using the MR fluid. The MR damper was tested using a dynamic test rig and the results were obtained in the form of force vs velocity and the force vs displacement plots. The results were encouraging and greatly inspire further research on the topic.Keywords: Magneto-rheological Fluid, MR Damper, Semiactive controller, Electro-rheological fluid.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 59396 Exploration of Hydrocarbon Unconventional Accumulations in the Argillaceous Formation of the Autochthonous Miocene Succession in the Carpathian Foredeep
Authors: Wojciech Górecki, Anna Sowiżdżał, Grzegorz Machowski, Tomasz Maćkowski, Bartosz Papiernik, Michał Stefaniuk
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The article shows results of the project which aims at evaluating possibilities of effective development and exploitation of natural gas from argillaceous series of the Autochthonous Miocene in the Carpathian Foredeep. To achieve the objective, the research team develop a world-trend based but unique methodology of processing and interpretation, adjusted to data, local variations and petroleum characteristics of the area. In order to determine the zones in which maximum volumes of hydrocarbons might have been generated and preserved as shale gas reservoirs, as well as to identify the most preferable well sites where largest gas accumulations are anticipated a number of task were accomplished. Evaluation of petrophysical properties and hydrocarbon saturation of the Miocene complex is based on laboratory measurements as well as interpretation of well-logs and archival data. The studies apply mercury porosimetry (MICP), micro CT and nuclear magnetic resonance imaging (using the Rock Core Analyzer). For prospective location (e.g. central part of Carpathian Foredeep – Brzesko-Wojnicz area) reprocessing and reinterpretation of detailed seismic survey data with the use of integrated geophysical investigations has been made. Construction of quantitative, structural and parametric models for selected areas of the Carpathian Foredeep is performed on the basis of integrated, detailed 3D computer models. Modeling are carried on with the Schlumberger’s Petrel software. Finally, prospective zones are spatially contoured in a form of regional 3D grid, which will be framework for generation modelling and comprehensive parametric mapping, allowing for spatial identification of the most prospective zones of unconventional gas accumulation in the Carpathian Foredeep. Preliminary results of research works indicate a potentially prospective area for occurrence of unconventional gas accumulations in the Polish part of Carpathian Foredeep.
Keywords: Autochthonous Miocene, Carpathian Foredeep, Poland, shale gas.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 7315 Performance Study of Neodymium Extraction by Carbon Nanotubes Assisted Emulsion Liquid Membrane Using Response Surface Methodology
Authors: Payman Davoodi-Nasab, Ahmad Rahbar-Kelishami, Jaber Safdari, Hossein Abolghasemi
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The high purity rare earth elements (REEs) have been vastly used in the field of chemical engineering, metallurgy, nuclear energy, optical, magnetic, luminescence and laser materials, superconductors, ceramics, alloys, catalysts, and etc. Neodymium is one of the most abundant rare earths. By development of a neodymium–iron–boron (Nd–Fe–B) permanent magnet, the importance of neodymium has dramatically increased. Solvent extraction processes have many operational limitations such as large inventory of extractants, loss of solvent due to the organic solubility in aqueous solutions, volatilization of diluents, etc. One of the promising methods of liquid membrane processes is emulsion liquid membrane (ELM) which offers an alternative method to the solvent extraction processes. In this work, a study on Nd extraction through multi-walled carbon nanotubes (MWCNTs) assisted ELM using response surface methodology (RSM) has been performed. The ELM composed of diisooctylphosphinic acid (CYANEX 272) as carrier, MWCNTs as nanoparticles, Span-85 (sorbitan triooleate) as surfactant, kerosene as organic diluent and nitric acid as internal phase. The effects of important operating variables namely, surfactant concentration, MWCNTs concentration, and treatment ratio were investigated. Results were optimized using a central composite design (CCD) and a regression model for extraction percentage was developed. The 3D response surfaces of Nd(III) extraction efficiency were achieved and significance of three important variables and their interactions on the Nd extraction efficiency were found out. Results indicated that introducing the MWCNTs to the ELM process led to increasing the Nd extraction due to higher stability of membrane and mass transfer enhancement. MWCNTs concentration of 407 ppm, Span-85 concentration of 2.1 (%v/v) and treatment ratio of 10 were achieved as the optimum conditions. At the optimum condition, the extraction of Nd(III) reached the maximum of 99.03%.Keywords: Emulsion liquid membrane, extraction of neodymium, multi-walled carbon nanotubes, response surface method.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 12274 Electron Density Discrepancy Analysis of Energy Metabolism Coenzymes
Authors: Alan Luo, Hunter N. B. Moseley
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Many macromolecular structure entries in the Protein Data Bank (PDB) have a range of regional (localized) quality issues, be it derived from X-ray crystallography, Nuclear Magnetic Resonance (NMR) spectroscopy, or other experimental approaches. However, most PDB entries are judged by global quality metrics like R-factor, R-free, and resolution for X-ray crystallography or backbone phi-psi distribution statistics and average restraint violations for NMR. Regional quality is often ignored when PDB entries are re-used for a variety of structurally based analyses. The binding of ligands, especially ligands involved in energy metabolism, is of particular interest in many structurally focused protein studies. Using a regional quality metric that provides chemically interpretable information from electron density maps, a significant number of outliers in regional structural quality was detected across X-ray crystallographic PDB entries for proteins bound to biochemically critical ligands. In this study, a series of analyses was performed to evaluate both specific and general potential factors that could promote these outliers. In particular, these potential factors were the minimum distance to a metal ion, the minimum distance to a crystal contact, and the isotropic atomic b-factor. To evaluate these potential factors, Fisher’s exact tests were performed, using regional quality criteria of outlier (top 1%, 2.5%, 5%, or 10%) versus non-outlier compared to a potential factor metric above versus below a certain outlier cutoff. The results revealed a consistent general effect from region-specific normalized b-factors but no specific effect from metal ion contact distances and only a very weak effect from crystal contact distance as compared to the b-factor results. These findings indicate that no single specific potential factor explains a majority of the outlier ligand-bound regions, implying that human error is likely as important as these other factors. Thus, all factors, including human error, should be considered when regions of low structural quality are detected. Also, the downstream re-use of protein structures for studying ligand-bound conformations should screen the regional quality of the binding sites. Doing so prevents misinterpretation due to the presence of structural uncertainty or flaws in regions of interest.
Keywords: Biomacromolecular structure, coenzyme, electron density discrepancy analysis, X-ray crystallography.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 235