Search results for: atomic absorption spectrophotometry
925 Capture of Co₂ From Natural Gas Using Modified Imidazolium Ionic Liquids
Authors: Alaa A. Ghanem, S. E. M. Desouky
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Natural gas (NG) is considered one of the most essential global energy sources. NG fields are often far away from the market, and a long-distance transporting pipeline usually is required. Production of NG with high content of CO₂ leads to severe problems such as equipment corrosion along with the production line until refinery.in addition to a high level of toxicity and decreasing in calorific value of the NG. So it is recommended to remove or decrease the CO₂ percent to meet transport specifications. This can be reached using different removal techniques such as physical and chemical absorption, pressure swing adsorption, membrane separation, or low-temperature separation. Many solvents and chemicals are being used to capture carbon dioxide on a large scale; among them, Ionic liquids have great potential due to their tunable properties; low vapour pressure, low melting point, and sensible thermal stability. In this research, three modifiedimidazolium ionic liquids will be synthesized and characterized using different tools of analysis such as FT-IR, 1H NMR. Thermal stability and surface activity will be studied. The synthesized compounds will be evaluated as selective solvents for CO₂ removal from natural gas using PVT cell.Keywords: natural gas, CO₂ capture, imidazolium ionic liquid, PVT cell
Procedia PDF Downloads 175924 Effect Different Moisture States of Surface-treated Recycled Concrete Aggregate on Properties of Fresh and Hardened Concrete
Authors: Sallehan Ismail, Mahyuddin Ramli
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This study examined the properties of fresh and hardened concretes as influenced by the moisture state of the coarse recycled concrete aggregates (RCA) after surface treatment. Surface treatment was performed by immersing the coarse RCA in a calcium metasilicate (CM) solution. The treated coarse RCA was maintained in three controlled moisture states, namely, air-dried, oven-dried, and saturated surface-dried (SSD), prior to its use in a concrete mix. The physical properties of coarse RCA were evaluated after surface treatment during the first phase of the experiment to determine the density and the water absorption characteristics of the RCA. The second phase involved the evaluation of the slump, slump loss, density, and compressive strength of the concretes that were prepared with different proportions of natural and treated coarse RCA. Controlling the moisture state of the coarse RCA after surface treatment was found to significantly influence the properties of the fresh and hardened concretes.Keywords: moisture state, recycled concrete aggregate, surface treatment
Procedia PDF Downloads 263923 Eco-Friendly Synthesis of Carbon Quantum Dots as an Effective Adsorbent
Authors: Hebat‑Allah S. Tohamy, Mohamed El‑Sakhawy, Samir Kamel
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Fluorescent carbon quantum dots (CQDs) were prepared by an economical, green, and single-step procedure based on microwave heating of urea with sugarcane bagasse (SCB), cellulose (C), or carboxymethyl cellulose (CMC). The prepared CQDs were characterized using a series of spectroscopic techniques, and they had small size, strong absorption in the UV, and excitation wavelength-dependent fluorescence. The prepared CQDs were used for Pb(II) adsorption from an aqueous solution. The removal efficiency percentages (R %) were 99.16, 96.36, and 98.48 for QCMC, QC, and QSCB. The findings validated the efficiency of CQDs synthesized from CMC, cellulose, and SCB as excellent materials for further utilization in the environmental fields of wastewater pollution detection, adsorption, and chemical sensing applications. The kinetics and isotherms studied found that all CQD isotherms fit well with the Langmuir model than Freundlich and Temkin models. According to R², the pseudo-second-order fits the adsorption of QCMC, while the first-order one fits with QC and QSCB.Keywords: carbon quantum dots, graphene quantum dots, fluorescence, quantum yield, water treatment, agricultural wastes
Procedia PDF Downloads 133922 Learning Materials of Atmospheric Pressure Plasma Process: Application in Wrinkle-Resistant Finishing of Cotton Fabric
Authors: C. W. Kan
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Cotton fibre is a commonly-used natural fibre because of its good fibre strength, high moisture absorption behaviour and minimal static problems. However, one of the main drawbacks of cotton fibre is wrinkling after washing, which is recently overcome by wrinkle-resistant treatment. 1,2,3,4-butanetetracarboxylic acid (BTCA) could improve the wrinkle-resistant properties of cotton fibre. Although the BTCA process is an effective method for wrinkle resistant application of cotton fabrics, reduced fabric strength was observed after treatment. Therefore, this paper would explore the use of atmospheric pressure plasma treatment under different discharge powers as a pretreatment process to enhance the application of BTCA process on cotton fabric without generating adverse effect. The aim of this study is to provide learning information to the users to know how the atmospheric pressure plasma treatment can be incorporated in textile finishing process with positive impact.Keywords: learning materials, atmospheric pressure plasma treatment, cotton, wrinkle-resistant, BTCA
Procedia PDF Downloads 306921 Development of Probiotic Edible Film Coated Extruded Food Product
Authors: Manab Bandhu Bera, Navdeep Singh, Paramjit Singh Panesar
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In view of exploiting the health benefits of probiotic yeast S.boulardii NCDC 363 and make it available in the form of non-dairy food products, study was undertaken. In this, probiotic yeast S.boulardii NCDC 363 was incorporated in the edible film made from sodium alginate (SA), whey protein concentrate (WPC) and glycerol (50%). Response surface methodology was used to optimize process variables such as; concentration of SA (0.25-0.75%), WPC (1-2%) and temperature (70-80°C) and also to investigate effect of these process variables on viability of probiotic yeast and hardness when applied as an edible coat on extruded food products. Accelerated storage stability of optimized probiotic extruded food products samples was determined at 38 C and 90% RH. The optimized products were packed in high-density polyethylene (HDPE) and aluminum laminated polyethylene (ALP) pouches at 38°C and relative humidity maintained was 90%. It was observed that product stored in ALP had better stability in terms of moisture absorption, hardness and viability.Keywords: probiotic yeast, extruded food product, WPC, RSM
Procedia PDF Downloads 276920 The Effectiveness of the South African Government Theory of Expanded Public Works Program: Infrastructure
Authors: Siziwe Monica Zuma
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The Expanded Public Works Program (EPWP) is an instrument that the South African Government uses to reduce unemployment and poverty and also stimulate economic growth. However, due to the limited budget and programs in the EPWP, the program has had challenges in reducing unemployment, poverty and stimulating economic growth. The EPWP Vuk’uphile program had positive outcomes in developing Black emerging contractors, in order for them to participate in the main stream economy far better than when the EPWP program was not introduced. The Skills component of the program particularly the EPWP Infrastructure, which is the most funded program under EPWP has had limited success in transferring appropriate skills to ensure labour participants can penetrate the labour market after participating in the EPWP. Education and skills are important attributes that can contribute to labour absorption, however, the EPWP particularly the infrastructure program needs to strengthen skills development over a longer period of time suggested a year with multi skills relevant to the labour market. Longer and more sustained employment provides a safety net and reduces poverty better that short term employment. The EPWP program can be expanded in the infrastructure sector, focusing on rural infrastructure, agricultural infrastructure, infrastructure related components like property, ownership, management, and other services. These can stimulate the Economic sector Infrastructure of EPWP, offer longer term and more sustained employment and rural enterprise development and further employment. The Expanded Public Works Program (EPWP) is an instrument that the South African Government uses to reduce unemployment and poverty and also stimulate economic growth. However, due to the limited budget and programs in the EPWP, the program has had challenges in reducing unemployment, poverty and stimulating economic growth. The EPWP Vuk’uphile program has had positive outcomes in developing Black emerging contractors, in order for them to participate in the main stream economy far better than when the EPWP program was not introduced. The Skills component of the program particularly the EPWP Infrastructure, which is the most funded program under EPWP has had limited success in transferring appropriate skills to ensure labour participants are able to penetrate the labour market after participating in the EPWP. Education and skills are important attributes that can contribute to labour absorption, however, the EPWP particularly the infrastructure program needs to strengthen skills development over a longer period of time suggested a year with multi skills relevant to the labour market. Longer and more sustained employment provides a safety net and reduces poverty better that short term employment. The EPWP program can be expanded in the infrastructure sector, focusing on rural infrastructure, agricultural infrastructure, infrastructure related components like property, ownership, management, and other services. These can stimulate the Economic sector Infrastructure of EPWP, offer longer term and more sustained employment and rural enterprise development and further employment.Keywords: Expanded Public Works Program (EPWP), VUKÚPHILE, youth, Public Works Programs (PWP), Infrastructure Sector of EPWP (EPWP Infrastructure)
Procedia PDF Downloads 219919 Characterization and Degradation Analysis of Tapioca Starch Based Biofilms
Authors: R. R. Ali, W. A. W. A. Rahman, R. M. Kasmani, H. Hasbullah, N. Ibrahim, A. N. Sadikin, U. A. Asli
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In this study, tapioca starch which acts as natural polymer was added in the blend in order to produce biodegradable product. Low density polyethylene (LDPE) and tapioca starch blends were prepared by extrusion and the test sample by injection moulding process. Ethylene vinyl acetate (EVA) acts as compatibilizer while glycerol as processing aid was added in the blend. The blends were characterized by using melt flow index (MFI), fourier transform infrared (FTIR) and the effects of water absorption to the sample. As the starch content increased, MFI of the blend was decreased. Tensile testing were conducted shows the tensile strength and elongation at break decreased while the modulus increased as the starch increased. For the biodegradation, soil burial test was conducted and the loss in weight was studied as the starch content increased. Morphology studies were conducted in order to show the distribution between LDPE and starch.Keywords: biopolymers, degradable polymers, starch based polyethylene, injection moulding
Procedia PDF Downloads 288918 Rapid Biosynthesis of Silver-Montmorillonite Nanocomposite Using Water Extract of Satureja hortensis L. and Evaluation of the Antibacterial Capacities
Authors: Sajjad Sedaghat
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In this work, facile and green biosynthesis and characterization of silver–montmorillonite (MMT) nanocomposite is reported at room temperature. Silver nanoparticles (Ag–NPs) were synthesized into the interlamellar space of (MMT) by using water extract of Satureja hortensis L as reducing agent. The MMT was suspended in the aqueous AgNO₃ solution, and after the absorption of silver ions, Ag⁺ was reduced using water extract of Satureja hortensis L to Ag°. Evaluation of the antibacterial properties are also reported. The nanocomposite was characterized by ultraviolet-visible spectroscopy (UV–Vis), powder X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). TEM study showed the formation of nanocomposite using water extract of Satureja hortensis L in the 4.88 – 26.70 nm range and average particles size were 15.79 nm also the XRD study showed that the particles have a face-centered cubic (fcc) structure. The nanocomposite showed the antibacterial properties against Gram-positive and Gram-negative bacteria.Keywords: antibacterial effects, montmorillonite, Satureja hortensis l, transmission electron microscopy, nanocomposite
Procedia PDF Downloads 170917 Investigation of Solar Concentrator Prototypes under Tunisian Conditions
Authors: Moncef Balghouthi, Mahmoud Ben Amara, Abdessalem Ben Hadj Ali, Amenallah Guizani
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Concentrated solar power technology constitutes an interesting option to meet a part of future energy demand, especially when considering the high levels of solar radiation and clearness index that are available particularly in Tunisia. In this work, we present three experimental prototypes of solar concentrators installed in the research center of energy CRTEn in Tunisia. Two are medium temperature parabolic trough solar collector used to drive a cooling installation and for steam generation. The third is a parabolic dish concentrator used for hybrid generation of thermal and electric power. Optical and thermal evaluations were presented. Solutions and possibilities to construct locally the mirrors of the concentrator were discussed. In addition, the enhancement of the performances of the receivers by nano selective absorption coatings was studied. The improvement of heat transfer between the receiver and the heat transfer fluid was discussed for each application.Keywords: solar concentrators, optical and thermal evaluations, cooling and process heat, hybrid thermal and electric generation
Procedia PDF Downloads 255916 DIAL Measurements of Vertical Distribution of Ozone at the Siberian Lidar Station in Tomsk
Authors: Oleg A. Romanovskii, Vladimir D. Burlakov, Sergey I. Dolgii, Olga V. Kharchenko, Alexey A. Nevzorov, Alexey V. Nevzorov
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The paper presents the results of DIAL measurements of the vertical ozone distribution. The ozone lidar operate as part of the measurement complex at Siberian Lidar Station (SLS) of V.E. Zuev Institute of Atmospheric Optics SB RAS, Tomsk (56.5ºN; 85.0ºE) and designed for study of the vertical ozone distribution in the upper troposphere–lower stratosphere. Most suitable wavelengths for measurements of ozone profiles are selected. We present an algorithm for retrieval of vertical distribution of ozone with temperature and aerosol correction during DIAL lidar sounding of the atmosphere. The temperature correction of ozone absorption coefficients is introduced in the software to reduce the retrieval errors. Results of lidar measurement at wavelengths of 299 and 341 nm agree with model estimates, which point to acceptable accuracy of ozone sounding in the 6–18 km altitude range.Keywords: lidar, ozone distribution, atmosphere, DIAL
Procedia PDF Downloads 499915 Phase Detection Using Infrared Spectroscopy: A Build up to Inline Gas–Liquid Flow Characterization
Authors: Kwame Sarkodie, William Cheung, Andrew R. Fergursson
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The characterization of multiphase flow has gained enormous attention for most petroleum and chemical industrial processes. In order to fully characterize fluid phases in a stream or containment, there needs to be a profound knowledge of the existing composition of fluids present. This introduces a problem for real-time monitoring of fluid dynamics such as fluid distributions, and phase fractions. This work presents a simple technique of correlating absorbance spectrums of water, oil and air bubble present in containment. These spectra absorption outputs are derived by using an Fourier Infrared spectrometer. During the testing, air bubbles were introduced into static water column and oil containment and with light absorbed in the infrared regions of specific wavelength ranges. Attenuation coefficients are derived for various combinations of water, gas and oil which reveal the presence of each phase in the samples. The results from this work are preliminary and viewed as a build up to the design of a multiphase flow rig which has an infrared sensor pair to be used for multiphase flow characterization.Keywords: attenuation, infrared, multiphase, spectroscopy
Procedia PDF Downloads 368914 Performance of Self-Compacting Mortars Containing Foam Glass Granulate
Authors: Brahim Safi, Djamila Aboutaleb, Mohammed Saidi, Abdelbaki Benmounah, Fahima Benbrahim
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The inorganic wastes are currently used in the manufacture of concretes as mineral additions by cement substitution or as fine/coarse aggregates by replacing traditional aggregates. In this respect, this study aims to valorize the mineral wastes in particular glass wastes to produce granulated foam glass (as fine aggregates). Granulated foam glasses (GFG) were prepared from the glass powder (glass cullet) and foaming agent (limestone) according to applied manufacturing of GFG (at a heat treatment 850 ° C for 20min). After, self-compacting mortars were elaborated with fine aggregate (sand) and other variant mortars with granulated foam glass at volume ratio (0, 30, 50 and 100 %). Rheological characterization tests (fluidity) and physic-mechanical (density, porosity /absorption of water and mechanical tests) were carried out on studied mortars. The results obtained show that a slightly decreasing of compressive strength of mortars having lightness very important for building construction.Keywords: glass wastes, lightweight aggregate, mortar, fluidity, density, mechanical strength
Procedia PDF Downloads 229913 Concrete Performance Evaluation of Coarse Aggregate Replacement by Civil Construction Waste
Authors: Juliane P. De Oliveira, Carlos H. Dos Santos, Marcia Shoji, Maria E. C. Ferreira, Natalia U. Yamaguchi
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The construction sector is considered a major generator of environmental impacts due to the high consumption of natural resources and waste generation. Thus, this article aims to evaluate the performance of a concrete produced by the partial and total replacement of natural coarse aggregate by recycled coarse aggregate, derived from the concrete residue of buildings and demolitions. The study was made by comparing the compressive strength and absorption of three different concrete traces, keeping the water/cement factor of 0.60 and changing only the proportions of recycled coarse aggregate between 0%, 50% and 100%. Traces 50% and 100% obtained good results by comparing the actual specific mass, because the material used is lighter to the natural coarse aggregate. It was concluded that the concrete produced with recycled aggregates, even with inferior results, can be used where it is not needed a structural function, giving an adequate destination to the construction and demolition waste and consequently reducing the extraction and consumption of natural resources.Keywords: green concrete, recycled aggregate, recycling, sustainable development
Procedia PDF Downloads 154912 Structural and Vibrational Studies of Ni Alx Fe2-x O4 Ferrites
Authors: Kamel Taıbı, Abdelmadjid Rais
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Nickel–Aluminium ferrites with the general formula Ni Alx Fe2-x O4 (0 ≤ x ≤ 1) were studied using X-ray diffraction, Infra Red and Raman spectroscopy. XRD diffraction patterns and their Reitveld refinements show that all samples have a pure single-phase cubic spinel structure. From these patterns, the lattice parameters of these samples have been calculated and compared with those predicted theoretically. Most of the values were found to decrease with increasing Al content. Infra Red spectra showed two significant absorption bands. The high band corresponds to tetrahedral (A) sites and the lower band to octahedral [B] sites, thus confirming the single phase spinel structure. For all compositions, Raman spectra show the five active modes A1g + E1g + 3 T2g of the motion of O2- ions and both the A-site and B-site ions. The Raman frequencies trend with aluminium concentration show a blue shift for all modes consistent with the replacement of Fe3+ by lower mass Al3+. Composition dependence of the Raman frequency modes is discussed in relationship with the cations distribution among the A-sites and B-sites.Keywords: Ni-Al ferrites, spinel structure, XRD, Raman spectroscopy
Procedia PDF Downloads 376911 Design of Wireless Readout System for Resonant Gas Sensors
Authors: S. Mohamed Rabeek, Mi Kyoung Park, M. Annamalai Arasu
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This paper presents a design of a wireless read out system for tracking the frequency shift of the polymer coated piezoelectric micro electromechanical resonator due to gas absorption. The measure of this frequency shift indicates the percentage of a particular gas the sensor is exposed to. It is measured using an oscillator and an FPGA based frequency counter by employing the resonator as a frequency determining element in the oscillator. This system consists of a Gas Sensing Wireless Readout (GSWR) and an USB Wireless Transceiver (UWT). GSWR consists of an oscillator based on a trans-impedance sustaining amplifier, an FPGA based frequency readout, a sub 1GHz wireless transceiver and a micro controller. UWT can be plugged into the computer via USB port and function as a wireless module to transfer gas sensor data from GSWR to the computer through its USB port. GUI program running on the computer periodically polls for sensor data through UWT - GSWR wireless link, the response from GSWR is logged in a file for post processing as well as displayed on screen.Keywords: gas sensor, GSWR, micromechanical system, UWT, volatile emissions
Procedia PDF Downloads 484910 Electrical Properties of Roystonea regia Fruit Extract as Dye Sensitized Solar Cells
Authors: Adenike Boyo Olasunkanmi Kesinro, Henry Boyo, Surukite Oluwole
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Utilizing solar energy in producing electricity can minimize environmental pollution generated by fossil fuel in producing electricity. Our research was base on the extraction of dye from Roystonea regia fruit by using methanol as solvent. The dye extracts were used as sensitizers in Dye-sensitized solar cell (DSSCs). Study was done on the electrical properties from the extracts of Roystonea regia fruit as Dye-sensitized solar cell (DSSCs). The absorptions of the extracts and extracts with dye were determined at different wavelengths (350-1000nm). Absorption peak was observed at 1.339 at wavelength 400nm. The obtained values for methanol extract Roystonea regia extract are, Imp = 0.015mA, Vmp = 12.0mV, fill factor = 0.763, Isc= 0.018 mA and Voc = 13.1 mV and efficiency of 0.32%. .The phytochemical screening was taken and it was observed that Roystonea regia extract contained less of anthocyanin compared to flavonoids. The nanostructured dye sensitized solar cell (DSSC) will provide economically credible alternative to present day silicon p–n junction photovoltaic.Keywords: methanol, ethanol, titanium dioxide, roystonea regia fruit, dye-sensitized solar cell
Procedia PDF Downloads 405909 Risk of Plastic Shrinkage Cracking in Recycled Aggregate Concrete
Authors: M. Eckert, M. Oliveira
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The intensive use of natural aggregates, near cities and towns, associated to the increase of the global population, leads to its depletion and increases the transport distances. The uncontrolled deposition of construction and demolition waste in landfills and city outskirts, causes pollution and takes up space. The use of recycled aggregates in concrete preparation would contribute to mitigate the problem. However, it arises the problem that the high water absorption of recycled aggregate decreases the bleeding rate of concrete, and when this gets lower than the evaporation rate, plastic shrinkage cracking occurs. This phenomenon can be particularly problematic in hot and windy curing environments. Cracking facilitates the flow of liquid and gas into concrete which attacks the reinforcement and degrades the concrete. These factors reduce the durability of concrete structures and consequently the lifetime of buildings. A ring test was used, cured in a wind tunnel, to evaluate the plastic shrinkage cracking sensitivity of recycled aggregate concrete, in order to implement preventive means to control this phenomenon. The role of several aggregate properties on the concrete segregation and cracking mechanisms were also discussed.Keywords: recycled aggregate, plastic shrinkage cracking, wind tunnel, durability
Procedia PDF Downloads 422908 Structural, Spectral and Optical Properties of Boron-Aluminosilicate Glasses with High Dy₂O₃ and Er₂O₃ Content for Faraday Rotator Operating at 2µm
Authors: Viktor D. Dubrovin, Masoud Mollaee, Jie Zong, Xiushan Zhu, Nasser Peyghambarian
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Glasses doped with high rare-earth (RE) elements concentration attracted considerable attention since the middle of the 20th century due to their particular magneto-optical properties. Such glasses exhibit the Faraday effect in which the polarization plane of a linearly polarized light beam is rotated by the interaction between the incident light and the magneto-optical material. That effect found application in optical isolators that are useful for laser systems, which can prevent back reflection of light into lasers or optical amplifiers and reduce signal instability and noise. Glasses are of particular interest since they are cost-effective and can be formed into fibers, thus breaking the limits of traditional bulk optics requiring optical coupling for use with fiber-optic systems. The advent of high-power fiber lasers operating near 2µm revealed a necessity in the development of all fiber isolators for this region. Ce³⁺, Pr³⁺, Dy³⁺, and Tb³⁺ ions provide the biggest contribution to the Verdet constant value of optical materials among the RE. It is known that Pr³⁺ and Tb³⁺ ions have strong absorption bands near 2 µm, thus making Dy³⁺ and Ce³⁺ the only prospective candidates for fiber isolator operating in that region. Due to the high tendency of Ce³⁺ ions pass to Ce⁴⁺ during the synthesis, glasses with high cerium content usually suffers from Ce⁴⁺ ions absorption extending from visible to IR. Additionally, Dy³⁺ (₆H¹⁵/²) same as Ho³⁺ (⁵I₈) ions, have the largest effective magnetic moment (µeff = 10.6 µB) among the RE ions that starts to play the key role if the operating region is far from 4fⁿ→ 4fⁿ⁻¹5 d¹ electric-dipole transition relevant to the Faraday Effect. Considering the high effective magnetic moment value of Er³⁺ ions (µeff = 9.6 µB) that is 3rd after Dy³⁺/ Ho³⁺ and Tb³⁺, it is possible to assume that Er³⁺ doped glasses should exhibit Verdet constant value near 2µm that is comparable with one of Dy doped glasses. Thus, partial replacement of Dy³⁺ on Er³⁺ ions has been performed, keeping the overall concentration of Re₂O₃ equal to 70 wt.% (30.6 mol.%). Al₂O₃-B₂O₃-SiO₂-30.6RE₂O₃ (RE= Er, Dy) glasses had been synthesized, and their thermal, spectral, optical, structural, and magneto-optical properties had been studied. Glasses synthesis had been conducted in Pt crucibles for 3h at 1500 °C. The obtained melt was poured into preheated up to 400 °C mold and annealed from 800 oC to room temperature for 12h with 1h dwell. The mass of obtained glass samples was about 200g. Shown that the difference between crystallization and glass transition temperature is about 150 oC, even taking into account the fact that high content of RE₂O₃ leads to glass network depolymerization. Verdet constant of Al₂O₃-B₂O₃-SiO₂-30.6RE₂O₃ glasses for wavelength 1950 nm can reach more than 5.9 rad/(T*m), which is among the highest number reported for a paramagnetic glass at this wavelength. The refractive index value was found to be equal to 1.7545 at 633 nm. Our experimental results show that Al₂O₃-B₂O₃-SiO₂-30.6RE₂O₃ glasses with high Dy₂O₃ content are expected to be promising material for use as highly effective Faraday isolators and modulators of electromagnetic radiation in the 2μm region.Keywords: oxide glass, magneto-optical, dysprosium, erbium, Faraday rotator, boron-aluminosilicate system
Procedia PDF Downloads 114907 Accelerating Quantum Chemistry Calculations: Machine Learning for Efficient Evaluation of Electron-Repulsion Integrals
Authors: Nishant Rodrigues, Nicole Spanedda, Chilukuri K. Mohan, Arindam Chakraborty
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A crucial objective in quantum chemistry is the computation of the energy levels of chemical systems. This task requires electron-repulsion integrals as inputs, and the steep computational cost of evaluating these integrals poses a major numerical challenge in efficient implementation of quantum chemical software. This work presents a moment-based machine-learning approach for the efficient evaluation of electron-repulsion integrals. These integrals were approximated using linear combinations of a small number of moments. Machine learning algorithms were applied to estimate the coefficients in the linear combination. A random forest approach was used to identify promising features using a recursive feature elimination approach, which performed best for learning the sign of each coefficient but not the magnitude. A neural network with two hidden layers were then used to learn the coefficient magnitudes along with an iterative feature masking approach to perform input vector compression, identifying a small subset of orbitals whose coefficients are sufficient for the quantum state energy computation. Finally, a small ensemble of neural networks (with a median rule for decision fusion) was shown to improve results when compared to a single network.Keywords: quantum energy calculations, atomic orbitals, electron-repulsion integrals, ensemble machine learning, random forests, neural networks, feature extraction
Procedia PDF Downloads 116906 Is Ag@TiO2 Core-Shell Nanoparticles Superior to Ag Surface Doped TiO2 Nanostructures?
Authors: Xiaohong Yang, Haitao Fu, Xizhong An, Aibing Yu
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Silver@titanium dioxide (Ag@TiO2) core-shell nanostructures and Ag surface doped TiO2 particles (TiO2@Ag) have been designed and synthesized by sol-gel and hydrothermal methods under mild conditions. These two types of Ag/TiO2 nanocomposites were characterized in terms of their properties by various techniques such as transmission electron microscope (TEM), X-ray diffraction (XRD), Brunauer Emmett Teller (BET) and ultra violet-visible absorption spectroscopy (UV-Vis). Specifically, the photocatalystic performance and antibacterial behavior of such nanocomposites have been investigated and compared. It was found that The Ag@TiO2 core-shell nanostructures exhibit superior photocatalytic property to the Ag surface doped TiO2 particles under the reported conditions. While with UV pre-irradiation, the Ag@TiO2 core-shell composites exhibit better bactericidal performance. This is probably because the Ag cores tend to facilitate charge separation for TiO2, producing greater hydroxyl radicals on the surface of the TiO2 particles. These findings would be useful for the design and synthesis of Ag/TiO2 nanocomposites with desirable photocatalystic and antimicrobial activity for environmental applications.Keywords: Ag@TiO2 core-shell nanoparticles, Ag surface doped TiO2 nanoparticles, photocatalysis, antibacterial
Procedia PDF Downloads 485905 MXene-Based Self-Sensing of Damage in Fiber Composites
Authors: Latha Nataraj, Todd Henry, Micheal Wallock, Asha Hall, Christine Hatter, Babak Anasori, Yury Gogotsi
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Multifunctional composites with enhanced strength and toughness for superior damage tolerance are essential for advanced aerospace and military applications. Detection of structural changes prior to visible damage may be achieved by incorporating fillers with tunable properties such as two-dimensional (2D) nanomaterials with high aspect ratios and more surface-active sites. While 2D graphene with large surface areas, good mechanical properties, and high electrical conductivity seems ideal as a filler, the single-atomic thickness can lead to bending and rolling during processing, requiring post-processing to bond to polymer matrices. Lately, an emerging family of 2D transition metal carbides and nitrides, MXenes, has attracted much attention since their discovery in 2011. Metallic electronic conductivity and good mechanical properties, even with increased polymer content, coupled with hydrophilicity make MXenes a good candidate as a filler material in polymer composites and exceptional as multifunctional damage indicators in composites. Here, we systematically study MXene-based (Ti₃C₂) coated on glass fibers for fiber reinforced polymer composite for self-sensing using microscopy and micromechanical testing. Further testing is in progress through the investigation of local variations in optical, acoustic, and thermal properties within the damage sites in response to strain caused by mechanical loading.Keywords: damage sensing, fiber composites, MXene, self-sensing
Procedia PDF Downloads 121904 Progress in Accuracy, Reliability and Safety in Firedamp Detection
Authors: José Luis Lorenzo Bayona, Ljiljana Medic-Pejic, Isabel Amez Arenillas, Blanca Castells Somoza
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The communication presents the study results carried out by the Official Laboratory J. M. Madariaga (LOM) of the Polytechnic University of Madrid to analyze the reliability of methane detection systems used in underground mining. Poor firedamp control in work can cause from production stoppages to fatal accidents and since there is currently a great variety of equipment with different functional characteristics, a study is needed to indicate which measurement principles have the highest degree of confidence. For the development of the project, a series of fixed, transportable and portable methane detectors with different measurement principles have been selected to subject them to laboratory tests following the methods described in the applicable regulations. The test equipment has been the one usually used in the certification and calibration of these devices, subject to the LOM quality system, and the tests have been carried out on detectors accessible in the market. The conclusions establish the main advantages and disadvantages of the equipment according to the measurement principle used; catalytic combustion, interferometry and infrared absorption.Keywords: ATEX standards, gas detector, methane meter, mining safety
Procedia PDF Downloads 137903 Highly Efficient Iron Oxide-Sulfonated Graphene Oxide Catalyst for Esterification and Trans-Esterification Reactions
Authors: Reena D. Souza, Tripti Vats, Prem F. Siril
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Esterification of free fatty acid (oleic acid) and transesterification of waste cooking oil (WCO) with ethanol over graphene oxide (GO), GO-Fe2O3, sulfonated GO (GO-SO3H), and Fe2O3/GO-SO3H catalysts were examined in the present study. Iron oxide supported graphene-based acid catalyst (Fe2O3/GO-SO3H) exhibited highest catalytic activity. GO was prepared by modified Hummer’s process. The GO-Fe2O3 nanocomposites were prepared by the addition of NaOH to a solution containing GO and FeCl3. Sulfonation was done using concentrated sulfuric acid. Transmissionelectron microscopy (TEM) and atomic force microscopy (AFM) imaging revealed the presence of Fe2O3 particles having size in the range of 50-200 nm. Crystal structure was analyzed by XRD and defect states of graphene were characterized using Raman spectroscopy. The effects of the reaction variables such as catalyst loading, ethanol to acid ratio, reaction time and temperature on the conversion of fatty acids were studied. The optimum conditions for the esterification process were molar ratio of alcohol to oleic acid at 12:1 with 5 wt% of Fe2O3/GO-SO3H at 1000C with a reaction time of 4h yielding 99% of ethyl oleate. This is because metal oxide supported solid acid catalysts have advantages of having both strong Brønsted as well as Lewis acid properties. The biodiesel obtained by transesterification of WCO was characterized by 1H NMR and Gas Chromatography techniques. XRD patterns of the recycled catalyst evidenced that the catalyst structure was unchanged up to the 5th cycle, which indicated the long life of the catalyst.Keywords: Fe₂O₃/GO-SO₃H, Graphene Oxide, GO-Fe₂O₃, GO-SO₃H, WCO
Procedia PDF Downloads 278902 Investigation of Suitability of Dredged Wastes for Production of Bricks
Authors: B. Adebayo, A. O. Omotehinse, C. Arum
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This study investigates the suitability of dredged samples for the production of bricks. Some geotechnical properties (moisture content, grain size distribution) of dredged samples were also determined using the British Standard. Bricks were produced using appropriate mixes of two dredged wastes. The dredged samples (Oroto dredged samples and Igbokoda dredged samples) have high moisture content of 90.48 % and 37.5 % respectively and both are classified as silty materials. The two dredged samples were mixed in different percentage (1- Oroto dredged sample (DS) 85 % and Igbokoda dredged sample (IS) 15 %, 2-DS 70 % and IS 30 %, 3- DS 55 % and IS 45 %, 4- DS 50 % and IS 50 %, 5- DS 45 % and IS 55 %,6- DS 30 % and IS 70 %, 7- DS 15 % and IS 85 %, 8- Clay 100 %, 9- DS 100 %, 10-IS 100 %) for the production of bricks and were tested for 7 days, 14 days, 21 days and 28 days. Although, the water absorption level of the bricks produced were high (5.635 to 33.4 %), the compressive strength on the 28th day was within the accepted British Standard. The Igbokoda dredge sample is a good material for the production of bricks when mixed with Oroto Dredged sample because the compressive strength of the material is within the accepted limit.Keywords: bricks, dredged, moisture content, suitability
Procedia PDF Downloads 239901 Nanoparticle Based Green Inhibitor for Corrosion Protection of Zinc in Acidic Medium
Authors: Neha Parekh, Divya Ladha, Poonam Wadhwani, Nisha Shah
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Nano scaled materials have attracted tremendous interest as corrosion inhibitor due to their high surface area on the metal surfaces. It is well known that the zinc oxide nanoparticles have higher reactivity towards aqueous acidic solution. This work presents a new method to incorporate zinc oxide nanoparticles with white sesame seeds extract (nano-green inhibitor) for corrosion protection of zinc in acidic medium. The morphology of the zinc oxide nanoparticles was investigated by TEM and DLS. The corrosion inhibition efficiency of the green inhibitor and nano-green inhibitor was determined by Gravimetric and electrochemical impedance spectroscopy (EIS) methods. Gravimetric measurements suggested that nano-green inhibitor is more effective than green inhibitor. Furthermore, with the increasing temperature, inhibition efficiency increases for both the inhibitors. In addition, it was established the Temkin adsorption isotherm fits well with the experimental data for both the inhibitors. The effect of temperature and Temkin adsorption isotherm revealed Chemisorption mechanism occurring in the system. The activation energy (Ea) and other thermodynamic parameters for inhibition process were calculated. The data of EIS showed that the charge transfer controls the corrosion process. The surface morphology of zinc metal (specimen) in absence and presence of green inhibitor and nano-green inhibitor were performed using Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM) techniques. The outcomes indicated a formation of a protective layer over zinc metal (specimen).Keywords: corrosion, green inhibitor, nanoparticles, zinc
Procedia PDF Downloads 456900 Calculation of Detection Efficiency of Horizontal Large Volume Source Using Exvol Code
Authors: M. Y. Kang, Euntaek Yoon, H. D. Choi
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To calculate the full energy (FE) absorption peak efficiency for arbitrary volume sample, we developed and verified the EXVol (Efficiency calculator for EXtended Voluminous source) code which is based on effective solid angle method. EXVol is possible to describe the source area as a non-uniform three-dimensional (x, y, z) source. And decompose and set it into several sets of volume units. Users can equally divide (x, y, z) coordinate system to calculate the detection efficiency at a specific position of a cylindrical volume source. By determining the detection efficiency for differential volume units, the total radiative absolute distribution and the correction factor of the detection efficiency can be obtained from the nondestructive measurement of the source. In order to check the performance of the EXVol code, Si ingot of 20 cm in diameter and 50 cm in height were used as a source. The detector was moved at the collimation geometry to calculate the detection efficiency at a specific position and compared with the experimental values. In this study, the performance of the EXVol code was extended to obtain the detection efficiency distribution at a specific position in a large volume source.Keywords: attenuation, EXVol, detection efficiency, volume source
Procedia PDF Downloads 185899 Hydrogeochemical Characteristics of the Different Aquiferous Layers in Oban Basement Complex Area (SE Nigeria)
Authors: Azubuike Ekwere
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The shallow and deep aquiferous horizons of the fractured and weathered crystalline basement Oban Massif of south-eastern Nigeria were studied during the dry and wet seasons. The criteria were ascertaining hydrochemistry relative to seasonal and spatial variations across the study area. Results indicate that concentrations of major cations and anions exhibit the order of abundance; Ca>Na>Mg>K and HCO3>SO4>Cl respectively, with minor variations across sampling seasons. Major elements Ca, Mg, Na and K were higher for the shallow aquifers than the deep aquifers across seasons. The major anions Cl, SO4, HCO3, and NO3 were higher for the deep aquifers compared to the shallow ones. Two water types were identified for both aquifer types: Ca-Mg-HCO3 and Ca-Na-Cl-SO4. Most of the parameters considered were within the international limits for drinking, domestic and irrigation purposes. Assessment by use of sodium absorption ratio (SAR), percent sodium (%Na) and the wilcox diagram reveals that the waters are suitable for irrigation purposes.Keywords: shallow aquifer, deep aquifer, seasonal variation, hydrochemistry, Oban massif, Nigeria
Procedia PDF Downloads 662898 Groundwater Quality Assessment Using Water Quality Index and Geographical Information System Techniques: A Case Study of Busan City, South Korea
Authors: S. Venkatramanan, S. Y. Chung, S. Selvam, E. E. Hussam, G. Gnanachandrasamy
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The quality of groundwater was evaluated by major ions concentration around Busan city, South Korea. The groundwater samples were collected from 40 wells. The order of abundance of major cations concentration in groundwater is Na > Ca > Mg > K, in case of anions are Cl > HCO₃ > SO₄ > NO₃ > F. Based on Piper’s diagram Ca (HCO₃)₂, CaCl₂, and NaCl are the leading groundwater types. While Gibbs diagram suggested that most of groundwater samples belong to rock-weathering zone. Hydrogeochemical condition of groundwater in this city is influenced by evaporation, ion exchange and dissolution of minerals. Water Quality Index (WQI) revealed that 86 % of the samples belong to excellent, 2 % good, 4 % poor to very poor and 8 % unsuitable categories. The results of sodium absorption ratio (SAR), Permeability Index (PI), Residual Sodium Carbonate (RSC) and Magnesium Hazard (MH) exhibit that most of the groundwater samples are suitable for domestic and irrigation purposes.Keywords: WQI (Water Quality Index), saturation index, groundwater types, ion exchange
Procedia PDF Downloads 264897 Development of Nondestructive Imaging Analysis Method Using Muonic X-Ray with a Double-Sided Silicon Strip Detector
Authors: I-Huan Chiu, Kazuhiko Ninomiya, Shin’ichiro Takeda, Meito Kajino, Miho Katsuragawa, Shunsaku Nagasawa, Atsushi Shinohara, Tadayuki Takahashi, Ryota Tomaru, Shin Watanabe, Goro Yabu
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In recent years, a nondestructive elemental analysis method based on muonic X-ray measurements has been developed and applied for various samples. Muonic X-rays are emitted after the formation of a muonic atom, which occurs when a negatively charged muon is captured in a muon atomic orbit around the nucleus. Because muonic X-rays have higher energy than electronic X-rays due to the muon mass, they can be measured without being absorbed by a material. Thus, estimating the two-dimensional (2D) elemental distribution of a sample became possible using an X-ray imaging detector. In this work, we report a non-destructive imaging experiment using muonic X-rays at Japan Proton Accelerator Research Complex. The irradiated target consisted of polypropylene material, and a double-sided silicon strip detector, which was developed as an imaging detector for astronomical observation, was employed. A peak corresponding to muonic X-rays from the carbon atoms in the target was clearly observed in the energy spectrum at an energy of 14 keV, and 2D visualizations were successfully reconstructed to reveal the projection image from the target. This result demonstrates the potential of the non-destructive elemental imaging method that is based on muonic X-ray measurement. To obtain a higher position resolution for imaging a smaller target, a new detector system will be developed to improve the statistical analysis in further research.Keywords: DSSD, muon, muonic X-ray, imaging, non-destructive analysis
Procedia PDF Downloads 206896 Pulsed Laser Deposition of Fe-Based Metallic Glasses with Enhanced Mechanical Strength and Corrosion Resistance
Authors: Ali Obeydavi, Majid Rahimi
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This study explores the synthesis and characterization of Fe-Cr-Mo-Co-C-B-Si thin film metallic glasses fabricated using the pulsed laser deposition (PLD) technique on silicon wafers and 304 stainless steel substrates. We systematically varied the laser pulse numbers (20,000; 30,000; 40,000) and energies (130, 165, 190 mJ) to investigate their effects on the microstructural, mechanical, and corrosion properties of the deposited films. Comprehensive characterization techniques, including grazing incidence X-ray diffraction, field emission scanning electron microscopy, atomic force microscopy, and transmission electron microscopy with selected area electron diffraction, were utilized to assess the amorphous structure and surface morphology. Results indicated that increased pulse numbers and laser energies led to enhanced deposition rates and film thicknesses. Nanoindentation tests demonstrated that the hardness and elastic modulus of the amorphous thin films significantly surpassed those of the 304 stainless steel substrate. Additionally, electrochemical polarization and impedance spectroscopy revealed that the Fe-based metallic glass coatings exhibited superior corrosion resistance compared to the stainless steel substrate. The observed improvements in mechanical and corrosion properties are attributed to the unique amorphous structure achieved through the PLD process, highlighting the potential of these materials for protective coatings in aggressive environmentsKeywords: silicon wafer, laser energies, corrosion resistance, Fe-based metallic glass
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