Search results for: metal oxide aerogel

Authors: Nadjette Belhamra, Abdelouahed Chala, Ibrahim Guasmi

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Titanium nitride coatings have been extensively used in industry, such as in cutting tools. TiN coating were deposited by chemical vapour deposition (CVD) on carbide insert at a temperature between 850°C and 1100°C, which often exceeds the hardening treatment temperature of the metals. The objective of this work is to realize, to characterize of TiN coating and to apply it in the turning of steel 42CrMo4 under lubrification. Various experimental techniques were employed for the microstructural characterization of the coatings, e. g., X-ray diffraction (XRD), scanning electron microscope (SEM) model JOEL JSM-5900 LV, equipped with energy dispersive X-ray (EDX). The results show that TiN-coated demonstrate a good wear resistance.

Keywords: hard coating TiN, carbide inserts, machining, turning, wear

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Authors: Byragondanahalli Suresh Navya, Linjer Chen, Chiu-Wen Chen, Cheng-Di Dong

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This study explores the fabrication and detailed characterization of cost-effective copper oxide (CuO)/graphene (G) nano-heterostructure photocatalyst designed for environmental remediation. Utilizing a hydrothermal synthesis method, the CuO/G nanocomposite was successfully developed. It demonstrated exceptional photocatalytic activity for degrading methylene blue (MB), a commonly used dye and model pollutant in wastewater treatment research. The optimized CuO/G nanocomposite achieved a remarkable photodegradation efficiency of 98.4% under visible light irradiation, significantly surpassing the performance of bare CuO. To understand the kinetics of the degradation process, reaction rate constants (“k”) were analyzed. The CuO/G nanocomposite exhibited a rate constant 10.8 times higher than that of bare CuO, emphasizing the role of graphene in enhancing charge carrier separation and reducing recombination. The synergy between CuO and graphene improved catalytic efficiency and increased the photocatalyst's stability and reusability. Advanced analytical techniques, including high-performance liquid chromatography-mass spectrometry (HPLC/MS), were employed to identify the intermediates formed during the MB degradation. These analyses facilitated the proposal of a comprehensive reaction pathway, shedding light on the degradation mechanism. The degradation steps involved oxidative cleavage, demethylation, and aromatic ring breakdown, ultimately leading to the mineralization of MB into simpler, less harmful by-products. The remarkable photocatalytic efficiency of the CuO/G nanocomposite can be attributed to the integration of graphene, which provides a high surface area, excellent electronic conductivity, and enhanced interaction with CuO nanoparticles. The nano-heterostructure facilitates efficient light absorption and charge transfer, thereby boosting photocatalytic activity under visible light. Additionally, the material’s low cost and straightforward synthesis method make it highly scalable and suitable for large-scale environmental applications. This study underscores the potential of CuO/G heterostructures as a robust and economical solution for wastewater treatment and other environmental remediation challenges. By addressing the growing need for clean water and sustainable pollution management technologies, the CuO/G nanocomposite represents a significant step forward in the development of advanced photocatalytic materials. Its ease of synthesis, outstanding photocatalytic performance, and environmental compatibility highlight its practical relevance and adaptability for addressing global water pollution issues.

Keywords: copper oxide, graphene, nanocomposite, methylene blue, photocatalytic, clean energy

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Authors: A. O. Boyo, A. T. Akinwunmi

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The effect of extracting solvent and adjustment of pHs on the stability of Terminalia catappa L. dye-sensitized solar cell was investigated. We introduced ZnO as an alternative to TiO2 in the dye sensitized solar cells (DSSCs) due to its band gap similar to TiO2, higher electron mobility, and flexible procedures of preparations. Dye-sensitized solar cells (DSSCs) based on Terminalia catappa L. was extracted in water (A), ethanol (B) and the mixture of ethanol and water in the ratio 1:1by volume (C). The best performance Solar cells sensitized was from extracts A and achieved up to Jsc 1.51 mAcm−2, Voc 0.75V, FF 0.88 and η 0.63%. We notice that as pHs decreases there is the increase in DSSC efficiency. There is Long period stability in efficiency of the cells prepared using A than in C and a fair stability in efficiency of B cell. The results obtained with extracts B and C confirmed that Ethanol with water could not be considered as a suitable solvent for the extraction of natural dye.

Keywords: zinc oxide, dye-sensitized solar cell, terminalia catappa L., TiO2

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Authors: Fatima Zohra Belghait, Nawal Cheikh, Oscar Palacios, Ramon Barnadas, Pau Bayon

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Metalloporphyrin and its derivatives play an important role in different scientific areas due to its tetradentate vacant site in the center that is suitable for metal coordination. Metalosomes (MTS) are supramolecular aggregates (similar to liposomes) generated by the self-assembly of compounds similar to phospholipids (with a polar and a hydrophobic part), but incorporating, as part of their membrane, molecules that contain bound metals. The aim of our work is to synthesise metalosomes containing catioinc amphiphilic porphyrin and their complexes with Fe and Cu to study their therapeutical applications. All synthesized compounds were confirmed with Dynamic Light Scattering; elemental analysis, Ultraviolet–visible spectroscopy

Keywords: metalloporphyrin, amphiphilique porphyrin, metalosomes, supramolecular

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Authors: Satwik Majumder, Dongyun Jung, Jennifer Ronholm, Saji George

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Bovine mastitis is the most common infectious disease in dairy cattle, with major economic implications for the dairy industry worldwide. Continuous monitoring for the emergence of antimicrobial resistance (AMR) among bacterial isolates from dairy farms is vital not only for animal husbandry but also for public health. In this study, the prevalence of AMR in 113 Escherichia coli isolates from cases of bovine clinical mastitis in Canada was investigated. Kirby-Bauer disk diffusion test with 18 antibiotics and microdilution method with three heavy metals (copper, zinc, and silver) was performed to determine the antibiotic and heavy-metal susceptibility. Resistant strains were assessed for efflux and ß-lactamase activities besides assessing biofilm formation and hemolysis. Whole-genome sequences for each of the isolates were examined to detect the presence of genes corresponding to the observed AMR and virulence factors. Phenotypic analysis revealed that 32 isolates were resistant to one or more antibiotics, and 107 showed resistance against at least one heavy metal. Quinolones and silver were the most efficient against the tested isolates. Among the AMR isolates, AcrAB-TolC efflux activity and ß-lactamase enzyme activities were detected in 13 and 14 isolates, respectively. All isolates produced biofilm but with different capacities, and 33 isolates showed α-hemolysin activity. A positive correlation (Pearson r = +0.89) between efflux pump activity and quantity of biofilm was observed. Genes associated with aggregation, adhesion, cyclic di-GMP, quorum sensing were detected in the AMR isolates, corroborating phenotype observations. This investigation showed the prevalence of AMR in E. coli isolates from bovine clinical mastitis. The results also suggest the inadequacy of antimicrobials with a single mode of action to curtail AMR bacteria with multiple mechanisms of resistance and virulence factors. Therefore, it calls for combinatorial therapy for the effective management of AMR infections in dairy farms and combats its potential transmission to the food supply chain through milk and dairy products.

Keywords: antimicrobial resistance, E. coli, bovine mastitis, antibiotics, heavy-metals, efflux pump, ß-lactamase enzyme, biofilm, whole-genome sequencing

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Authors: Mohamed Akbi, Aissa Bouchou

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The present work aims to throw light on the effects of arcing in air on the surface state of contact pastilles made of silver-nickel Ag-Ni (60/40). Also, the photoelectric emission from these electrical contacts has been investigated in the spectral range of 196-256 nm. In order to study the effects of arcing on the EWF, the metallic samples were subjected to electrical arcs in air, at atmospheric pressure and room temperature, after that, they have been introduced into the vacuum chamber of an experimental UHV set-up for EWF measurements. Both Fowler method of isothermal curves and linearized Fowler plots were used for the measurement of the EWF by the photoelectric effect. It has been found that the EWF varies with the number of applied arcs. Thus, after 500 arcs in air, the observed EWF increasing is probably due to progressive inclusion of oxide on alloy surface. Microscopic examination is necessary to get better understandings on EWF of silver alloys, for both virgin and arced electrical contacts.

Keywords: Ag-Ni contact materials, arcing effects, electron work function, Fowler methods, photoemission

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Authors: Wanida Wonsawat

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Bioreduction of silver nanoparticles (AgNPs) from silver ions (Ag+) using water extract of Thai basil leaf was successfully carried out. The basil leaf extract provided a reducing agent and stabilizing agent for a synthesis of metal nanoparticles. Silver nanoparticles received from cut and uncut basil leaf was compared. The resulting silver nanoparticles are characterized by UV-Vis spectroscopy. The maximum intensities of silver nanoparticle from cut and uncut basil leaf were 410 and 420, respectively. The techniques involved are simple, eco-friendly and rapid.

Keywords: basil leaves, silver nanoparticles, green synthesis, plant extract

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Authors: Ashish Kumar, Tejendra Dixit, I. A. Palani, Vipul Singh

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Zinc oxide, with its interesting properties such as large band gap (3.37eV), high exciton binding energy (60 meV) and intense UV absorption has been studied in literature for various applications viz. optoelectronics, biosensors, UV-photodetectors etc. The performance of ZnO devices is highly influenced by morphologies, size, crystallinity of the ZnO active layer and processing conditions. Recently, our group has shown the influence of the in situ addition of KMnO4 in the precursor solution during the hydrothermal growth of ZnO nanorods (NRs) on their near band edge (NBE) emission. In this paper, we have investigated the effect of post-growth annealing on the variations in NBE and deep level (DL) emissions of as grown ZnO nanorods. These observed results have been explained on the basis of X-ray Diffraction (XRD) and Raman spectroscopic analysis, which clearly show that improved crystalinity and quantum confinement in ZnO nanorods.

Keywords: ZnO, nanorods, hydrothermal, KMnO4

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Authors: Bin Yang, Xiaofang Chen, Guangxin Wang

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Zinc coating as a sacrificial protection plays an important role in the traditional steel anticorrosion field. Adding second-phase reinforcement particles into zinc matrix is an interesting approach to further enhance its corrosion performance. In this paper, pure Zn and Zn–graphene composite coatings of different graphene contents were prepared by direct current electrodeposition on 304 stainless steel substrate. The coatings were characterized by XRD, SEM/EDS, and Raman spectroscopy. Tafel polarization and electrochemical impedance spectroscopic methods were used to study their corrosion behavior. Result obtained have shown that the concentration of grapheme oxide (GO) in zinc sulfate bath has an important effect on textured structure and surface morphology of Zn–graphene composite coatings. The coating prepared with 1.0g/L GO has shown the best corrosion resistance compared to other coatings prepared in this study.

Keywords: Zn-graphene coatings, electrodeposition, microstructure, corrosion behavior

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Authors: E. Hovad, J. H. Walther, P. Larsen, J. Thorborg, J. H. Hattel

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In sand casting of metal parts for the automotive industry such as brake disks and engine blocks, the molten metal is poured into a sand mold to get its final shape. The DISAMATIC molding process is a way to construct these sand molds for casting of steel parts and in the present work numerical simulations of this process are presented. During the process green sand is blown into a chamber and subsequently squeezed to finally obtain the sand mould. The sand flow is modelled with the Discrete Element method (DEM) and obtaining the correct material parameters for the simulation is the main goal. Different tests will be used to find or calibrate the DEM parameters needed; Poisson ratio, Young modulus, rolling friction coefficient, sliding friction coefficient and coefficient of restitution (COR). The Young modulus and Poisson ratio are found from compression tests of the bulk material and subsequently used in the DEM model according to the Hertz-Mindlin model. The main focus will be on calibrating the rolling resistance and sliding friction in the DEM model with respect to the behavior of “real” sand piles. More specifically, the surface profile of the “real” sand pile will be compared to the sand pile predicted with the DEM for different values of the rolling and sliding friction coefficients. When the DEM parameters are found for the particle-particle (sand-sand) interaction, the particle-wall interaction parameter values are also found. Here the sliding coefficient will be found from experiments and the rolling resistance is investigated by comparing with observations of how the green sand interacts with the chamber wall during experiments and the DEM simulations will be calibrated accordingly. The coefficient of restitution will be tested with different values in the DEM simulations and compared to video footages of the DISAMATIC process. Energy dissipation will be investigated in these simulations for different particle sizes and coefficient of restitution, where scaling laws will be considered to relate the energy dissipation for these parameters. Finally, the found parameter values are used in the overall discrete element model and compared to the video footage of the DISAMATIC process.

Keywords: discrete element method, physical properties of materials, calibration, granular flow

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Authors: Salesabil Labihi, Adil Eddiai, Mounir El Achaby, Mounir Meddad, Omar Cherkaoui, M’hammed Mazroui

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Piezoelectric materials provide a promising renewable energy source by converting mechanical energy into electrical energy through pressure and vibration. This study focuses on improving the conversion performance of poly (vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) by incorporating graphene oxide (GO) and lead zirconate titanate (PZT). The dispersion of PZT and GO within the PVDF-HFP matrix was found to be homogeneous, resulting in high piezoelectric performance with an increase in the β-phase content. The thermal stability of the PVDF-HFP polymer also improved with the addition of PZT/GO. However, as the percentage of PZT/GO increased, the young's modulus of the composite decreased significantly. The developed composite demonstrated promising performance as a potential candidate for energy harvesting applications.

Keywords: energy harvesting, mechanical conversion, piezoelectric composite, solvent casting method

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Authors: Vasant Reddy, Shivani A. Singh, Pravin S. More

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In the present investigation, we demonstrated the fabrication of few-layers of graphene sheets with alkali metal i.e. Rb-G using chemical route method. The obtained materials were characterized by means of chemical, structural and electrical techniques, using the ultraviolet-visible spectroscopy (UV-Vis), Fourier transform infrared spectroscopy (FTIR), X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and 4 points probe, respectively. The XRD studies were carried out to understand the phase of the samples where we found a sharp peak of Rb-G at 26.470. UV-Spectroscopy of Graphene and Rb-modified graphene samples shows the absorption peaks at ~248 nm and ~318 nm respectively. These analyses show that this modified material can be useful for gas sensing applications and to be used in diverse areas.

Keywords: chemical route, graphene, gas sensing, UV-spectroscopy

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Authors: V. Sai Geethika, Sai Snehitha Yadavalli, Swati Ghosh Acharyya

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This study involves a single element and simultaneous electrochemical detection of heavy metal ions through square wave anodic stripping voltammetry. A glassy carbon electrode was used to detect and quantify heavy metals such as As(III), Hg(II), Cr(VI) ions in water. Under optimized conditions, peak separation was obtained by varying concentrations, scan rates, and temperatures. As (III), Hg (II), Cr (III) were simultaneously detected with GCE. Several analytical methods, such as inductively coupled plasma mass spectroscopy (ICP-MS), atomic absorption spectroscopy (AAS), were used previously to detect heavy metal ions, which are authentic but are not good enough for online monitoring due to the bulkiness of the equipment. The study provides a good alternative that is simple, more efficient, and low-cost, involving a portable potentiostat. Heavy metals having different oxidation states can be detected by anodic stripping voltammetry. This method can be easily integrated with electronics. Square wave Anodic stripping voltammetry is used with a potential range of -2.5 V – 2.5 V for single ion detection by a three-electrode cell consisting of silver/silver chloride(Ag/AgCl) as reference and platinum (Pt) counter and glassy carbon (GCE) working electrodes. All three ions are optimized by varying the parameters like concentration, scan rate, pH, temperature, and all these optimized parameters were used for studying the effects of simultaneous detection. The procedure involves preparing an electrolyte using deionized water, cleaning the surface of GCE, depositing the ions by applying the redox potentials obtained from cyclic voltammetry (CV), and then detecting by applying oxidizing potential, i.e., stripping voltage. So this includes ASV techniques such as open-circuit voltage (OCV), chronoamperometry (CA), and square wave voltammetry (SWV). Firstly, the concentration of the ions varied from 50 ppb to 5000 ppb, and an optimum concentration was determined where the three ions were detected. A concentration of 400 ppb was used while varying the temperatures in the range of 25°C – 45°C. Optimum peak intensity was obtained at a temperature of 30°C with a low scan rate of 0.005 V-s⁻¹. All the parameters were optimized, and several effects have been noticed while three ions As(II), Cr(III), Hg(II) were detected alone and simultaneously.

Keywords: Arsenic(III), Chromium(III), glassy carbon electrode, Mercury (II), square wave anodic stripping voltammetry

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Authors: Dahmane Mohamed, Tab Asma, Trari Mohamed

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BaMnO₃ nanoparticles were synthesized by a nitrate route. Its structure and physical properties were characterized by means of X-ray powder diffraction, radio crystallographic analysis, ultraviolet-visible absorption spectroscopy in diffuse reflectance mode, infrared spectroscopy, and electrochemical measurements. The optical study showed that barium manganese oxide presents a direct transition with band energy 2.13 eV. The electrochemical study allowed us to identify the redox peaks and the corrosion parameters. Capacitance measurement clearly showed n-type conductivity. The photodegradation of paracetamol by BaMnO₃ was followed by UV-visible spectrophotometry; the results were then confirmed by HPLC. BaMnO₃ has shown its photocatalytic efficiency in the photodegradation of 10 mg/L paracetamol under solar irradiation, with a yield of ≈ 88%. The kinetic study has shown that paracetamol degrades with first-order kinetics.

Keywords: BaMnO₃, photodegradation, paracetamol, electrochemical measurements, solar light

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Authors: Hideyuki Onodera, Ryoji Imai, Masahiro Sakai

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Explosions have occurred in incineration plants in conveyors, ash pits, and other locations. The cause of such explosions is thought to be the reaction of metallic aluminum contained in the ash with water used to cool the ash and prevent scattering, resulting in the generation of hydrogen. Given this background, conveyors and other equipment have been damaged by explosions, which has hindered the stable operation of incineration plants. In addition, workers may be injured by equipment explosions, creating an unsafe situation. To remedy these problems, it is necessary to devise a way to prevent hydrogen explosions from occurring. To overcome this problem, we conducted a hydrogen generation reaction experiment using simulated incinerator ash powder containing aluminum, calcium oxide and water and confirmed that conditions exist to stop the hydrogen generation reaction. The results of this research may contribute to the suppression of hydrogen explosions at incineration plants.

Keywords: waste incinerated ash, aluminum, water, hydrogen, suppression of hydrogen generation, incineration plant

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Authors: Marian Mihalik, Kornel Csach, Martin Kovalik, Matúš Mihalik, Martina Kubovčíková, Maria Zentková, Martin Vavra, Vladimír Girman, Jaroslav Briančin, Marija Perovic, Marija Boškovic, Magdalena Fitta, Robert Pelka

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Current nanomaterials for use in biomedicine are based mainly on iron oxides and on present knowledge on magnetic nanostructures. Manganites can represent another material which can be used optionally. Manganites and their unique electronic properties have been extensively studied in the last decades not only due to fundamental interest but to possible applications of colossal magnetoresistance, magnetocaloric effect, and ferroelectric properties. It was found that the oxygen-reduction reaction on perovskite oxide is intimately connected with metal ion e.g., orbital occupation. The effect of oxygen deviation from the stoichiometric composition on crystal structure was studied very carefully by many authors on LaMnO₃. Depending on oxygen content, the crystal structure changes from orthorhombic one to rhombohedric for oxygen content 3.1. In the case of hole-doped manganites, the change from the orthorhombic crystal structure, which is typical for La1-xCaxMnO3 based manganites, to the rhombohedric crystal structure (La1-xMxMnO₃ where M = K, Ag, and Sr based materials) results in an enormous increase of the Curie temperature. In our paper, we study the effect of oxygen content on crystal structure, thermal, and magnetic properties (including magnetocaloric effect) of La1-xAgxMnO₃nano particle system. The content of oxygen in samples was tuned by heat treatment in different thermal regimes and in various environment (air, oxygen, argon). Water nanosuspensions based on La0.80Ag0.15MnO₃ magnetic particles with the Curie temperature of about 43oC were prepared by two different approaches. First, by using a laboratory circulation mill for milling of powder in the presence of sodium dodecyl sulphate (SDS) and subsequent centrifugation. Second nanosuspension was prepared using an agate bowl, etching in citric acid and HNO3, ultrasound homogeniser, centrifugation, and dextran 40 kDA or 15 kDA as surfactant. Electrostatic stabilisation obtained by the first approach did not offer long term kinetic and aggregation colloidal stability and was unable to compensate for attractive forces between particles under a magnetic field. By the second approach, we prepared suspension oversaturated by dextran 40 kDA for steric stabilisation, with evidence of the presence of superparamagnetic behaviour. Low concentration of nanoparticles and not ideal coverage of nanoparticles impacting the stability of ferrofluids was the disadvantage of this approach. Strong steric stabilisation was observable at alcaic conditions under pH = ~10. Application of dextran 15 kDA leads to relatively stable ferrofluid with pH around physiological conditions, but desegregation of powder by HNO₃ was not effective enough, and the average size of fragments was to large of about 150 nm, and we did not see any signature of superparamagnetic behaviour. The prepared ferrofluids were characterised by scanning and transition microscope method, thermogravimetry, magnetization, and AC susceptibility measurements. Specific Absorption Rate measurements were undertaken on powder as well on ferrofluids in order to estimate the potential application of La₀.₈₀Ag₀.₁₅MnO₃ magnetic particles based ferrofluid for hyperthermia. Our complex study contains an investigation of biocompatibility and potential biohazard of this material.

Keywords: manganites, magnetic nanoparticles, oxygen content, magnetic phase transition, magnetocaloric effect, ferrofluid, hyperthermia

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Authors: Mohammad Ruhul Amin, Nusrat Jahan

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Natural gas is a cleaner fuel compared to the others. But it needs some treatment before it is in a state to be used. So natural gas purification is an integral part of any process where natural gas is used as raw material or fuel. There are several impurities in natural gas that have to be removed before use. CO2 is one of the major contaminants. In this project we have removed CO2 by amine process by using MEA solution. We have built up the whole amine process for removing CO2 in Aspen Hysys and simulated the process. At the end of simulation we have got very satisfactory results by using MEA solution for the removal of CO2. Simulation result shows that amine absorption process enables to reduce CO2 content from NG by 58%. HYSYS optimizer allowed us to get a perfect optimized plant. After optimization the profit of existing plant is increased by 2.34 %.Simulation and optimization by Aspen-HYSYS simulator makes available us to enormous information which will help us to further research in future.

Keywords: Aspen–Hysys, CO2 removal, flowsheet development, MEA solution, natural gas optimization

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Authors: Ahmet Yonetken, Ayhan Erol

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Aluminum matrix composites containing 3, 6, 9, 12 and 15% BN has been fabricated by conventional microwave sintering at 550°C temperature. Compounds formation between Al and BN powders is observed after sintering under Ar shroud. XRD, SEM (Scanning Electron Microscope), mechanical testing and measurements were employed to characterize the properties of Al + BN composite. Experimental results suggest that the best properties as hardness 42,62 HV were obtained for Al+12% BN composite. In this study, the powder metallurgy method was used. It is aimed to produce a light composite with Al matrix BN powders. It has been increased in strength and hardness besides its lightness. Ceramic powders are added to improve mechanical properties.

Keywords: ceramic-metal composites, proporties, powder metallurgy, sintering

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Authors: Sibghat Mansoor Rana, Muhammad Islam, Hamid Saeed, Hummera Rafique, Muhammad Majid, Muhammad Tahir Aqeel, Fariha Imtiaz, Zaman Ashraf

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The 1,3,4-oxadiazole derivatives Ox-6a-f have been synthesized by incorporating flur- biprofen moiety with the aim to explore the potential of target molecules to decrease the oxidative stress. The title compounds Ox-6a-f were prepared by simple reactions in which a flurbiprofen –COOH group was esterified with methanol in an acid-catalyzed medium, which was then reacted with hydrazine to afford the corresponding hydrazide. The acid hydrazide was then cyclized into 1,3,4-oxadiazole-2-thiol by reacting with CS2 in the presence of KOH. The title compounds Ox-6a-f were synthesized by the reaction of an –SH group with various alkyl/aryl chlorides, which involves an S-alkylation reaction. The structures of the synthesized Ox-6a-f derivatives were ascer- tained by spectroscopic data. The in silico molecular docking was performed against target proteins cyclooxygenase-2 COX-2 (PDBID 5KIR) and cyclooxygenase-1 COX-1 (PDBID 6Y3C) to determine the binding affinity of the synthesized compounds with these structures. It has been inferred that most of the synthesized compounds bind well with an active binding site of 5KIR compared to 6Y3C, and especially compound Ox-6f showed excellent binding affinity (7.70 kcal/mol) among all synthesized compounds Ox-6a-f. The molecular dynamic (MD) simulation has also been performed to check the stability of docking complexes of ligands with COX-2 by determining their root mean square deviation and root mean square fluctuation. Little fluctuation was observed in case of Ox-6f, which forms the most stable complex with COX-2. The comprehensive antioxidant potential of the synthesized compounds has been evaluated by determining their free radical scavenging activity, including DPPH, OH, nitric oxide (NO), and iron chelation assay. The derivative Ox-6f showed promising results with 80.23% radical scavenging potential at a dose of 100 μg/mL while ascorbic acid exhibited 87.72% inhibition at the same dose. The anti-inflammatory activity of the final products has also been performed, and inflammatory markers were assayed, such as a thiobarbituric acid-reducing substance, nitric oxide, interleukin-6 (IL-6), and COX-2. The derivatives Ox-6d and Ox-6f displayed higher anti-inflammatory activity, exhibiting 70.56% and 74.16% activity, respectively. The results were compared with standard ibuprofen, which showed 84.31% activity at the same dose, 200 μg/mL. The anti-inflammatory potential has been performed by following the carrageen-induced hind paw edema model, and results showed that derivative Ox-6f exhibited 79.83% reduction in edema volume compared to standard ibuprofen, which reduced 84.31% edema volume. As dry lab and wet lab results confirm each other, it has been deduced that derivative Ox-6f may serve as the lead structure to design potent compounds to address oxidative stress.

Keywords: synthetic chemistry, pharmaceutical chemistry, oxadiazole derivatives, anti-inflammatory, anti-cancer compounds

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Authors: M. Invigorito, G. Elia, M. Panelli

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Hybrid propulsion combines beneficial properties of both solid and liquid rockets, such as multiple restarts, throttability as well as simplicity and reduced costs. A nitrous oxide (N2O)/paraffin-based hybrid rocket engine demonstrator is currently under development at the Italian Aerospace Research Center (CIRA) within the national research program HYPROB, funded by the Italian Ministry of Research. Nitrous oxide belongs to the class of self-pressurizing propellants that exhibit a high vapor pressure at standard ambient temperature. This peculiar feature makes those fluids very attractive for space rocket applications because it avoids the use of complex pressurization systems, leading to great benefits in terms of weight savings and reliability. To avoid feed-system-coupled instabilities, the phase change is required to occur through the injectors. In this regard, the oxidizer is stored in liquid condition while target chamber pressures are designed to lie below vapor pressure. The consequent cavitation and flash vaporization constitute a remarkably complex phenomenology that arises great modelling challenges. Thus, it is clear that the design of the injection system is fundamental for the full exploitation of hybrid rocket engine throttability. The Analytical Hierarchy Process has been used to select the injection architecture as best compromise among different design criteria such as functionality, technology innovation and cost. The impossibility to use engineering simplified relations for the dimensioning of the injectors led to the needs of applying a numerical approach based on OpenFOAM®. The numerical tool has been validated with selected experimental data from literature. Quantitative, as well as qualitative comparisons are performed in terms of mass flow rate and pressure drop across the injector for several operating conditions. The results show satisfactory agreement with the experimental data. Modeling assumptions, together with their impact on numerical predictions are discussed in the paper. Once assessed the reliability of the numerical tool, the injection plate has been designed and sized to guarantee the required amount of oxidizer in the combustion chamber and therefore to assure high combustion efficiency. To this purpose, the plate has been designed with multiple injectors whose number and diameter have been selected in order to reach the requested mass flow rate for the two operating conditions of maximum and minimum thrust. The overall design has been finally verified through three-dimensional computations in cavitating non-reacting conditions and it has been verified that the proposed design solution is able to guarantee the requested values of mass flow rates.

Keywords: hybrid rocket, injection system design, OpenFOAM®, cavitation

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Authors: Mohamed A. Ghandourah, Walied M. Alarif, Nahed O. Bawakid

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Halogenated cyclic enynes and terpenoids are commonly identified among secondary metabolites of the genus Laurencia. Laurencian acetogenins are entirly C15 non-terpenoid haloethers with different carbocyclic nuclei; a specimen of the Red Sea red alga L. obtusa was investigated for its acetogenin content. The dichloromethane extract of the air-dried red algal material was fractionated on aluminum oxide column preparative thin-layer chromatography. Three new rare C12 acetogenin derivatives (1-3) were isolated from the organic extract obtained from Laurencia obtusa, collected from the territorial Red Sea water of Saudi Arabia. The structures of the isolated metabolites were established by means of spectroscopical data analyses. Examining the isolated compounds in activated human peripheral blood mononuclear cells (PBMC) revealed potent Anti-inflammatory activity as evidenced by inhibition of NFκB and release of other inflammatory mediators like TNF-α, IL-1β and IL-6.

Keywords: Red Sea, red algae, fatty acids, spectroscopy, anti-inflammatory

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Authors: Christian Ogubuchi Ede, Moses Oghenenyoreme Eyankware

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This study assessed the concentration of heavy metals (HMs) in soil, rock, mine dump pile, and water from Oshiri and Ishiagu areas of Ebonyi State. Investigations on mobile fraction equally evaluated the geochemical condition of different HM using UV spectrophotometer for Mineralized and unmineralized rocks, dumps, and soil, while AAS was used in determining the geochemical nature of the water system. Analysis revealed very high pollution of Cd mostly in Ishiagu (Ihetutu and Amaonye) active mine zones and with subordinates enrichments of Pb, Cu, As, and Zn in Amagu and Umungbala. Oshiri recorded sparingly moderate to high contamination of Cd and Mn but out rightly high anthropogenic input. Observation showed that most of the contamination conditions were unbearable while at the control but decrease with increasing distance from the mine vicinity. The potential heavy metal risk of the environments was evaluated using the risk factors such as enrichment factor, index of Geoacumulation, Contamination Factor, and Effect Range Median. Cadmium and Zn showed moderate to extreme contamination using Geoaccumulation Index (Igeo) while Pb, Cd, and As indicated moderate to strong pollution using the Effect Range Median. Results, when compared with the allowable limits and standards, showed the concentration of the metals in the following order Cd>Zn>Pb>As>Cu>Ni (rocks), Cd>As>Pb>Zn>Cu>Ni (soil) while Cd>Zn>As>Pb> Cu (for mine dump pile. High concentrations of Zn and As were recorded more in mine pond and salt line/drain channels along active mine zones, it heightened its threat during the rainy period as it settles into river course, living behind full-scale contaminations to inhabitants depending on it for domestic uses. Pb and Cu with moderate pollution were recorded in surface/stream water source as its mobility were relatively low. Results from Ishiagu Crush rock sites and Fedeco metallurgical and auto workshop where groundwater contamination was seen infiltrating some of the wells points gave rise to values that were 4 times high than the allowable limits. Some of these metal concentrations according to WHO (2015) if left unmitigated pose adverse effects to the soil and human community.

Keywords: water, geo-accumulation, heavy metals, mine and Nigeria.

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Authors: S. Zhuiykov, Zh. Hai, H. Xu, C. Xue

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Unique and distinctive properties could be obtained on such two-dimensional (2D) semiconductor as tungsten trioxide (WO₃) when the reduction from multi-layer to one fundamental layer thickness takes place. This transition without damaging single-layer on a large spatial resolution remained elusive until the atomic layer deposition (ALD) technique was utilized. Here we report the ALD-enabled atomic-layer-precision development of a single layer WO₃ with thickness of 0.77±0.07 nm on a large spatial resolution by using (^tBuN)₂W(NMe₂)₂ as tungsten precursor and H₂O as oxygen precursor, without affecting the underlying SiO₂/Si substrate. Versatility of ALD is in tuning recipe in order to achieve the complete WO₃ with desired number of WO₃ layers including monolayer. Governed by self-limiting surface reactions, the ALD-enabled approach is versatile, scalable and applicable for a broader range of 2D semiconductors and various device applications.

Keywords: Atomic Layer Deposition (ALD), tungsten oxide, WO₃, two-dimensional semiconductors, single fundamental layer

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Authors: M. Abdoul-Hakim, a. Zeroual, H. Garmes

Abstract:

In a route for the preparation of 1,4-benzoxazepine fused to benzimidazole, the use of 2-(2-methoxyphenyl)-benzimidazole or styrene-derived N-tosylaziridine does not give the desired products. On this basis, we theoretically studied this reaction using DFT at the B3LYP/6-31+G(d) level. The analysis of the results shows a preferential nucleophilic attack of 2-(2-fluorophenyl)-benzimidazole on the terminal carbon atom of the Alkylepoxides and on the substituted carbon of N-tosylaziridine. Taking into account the solvent effect (DMF) makes the reactions spontaneous for the opening of epoxides and N-tosylaziridine and disfavors the intramolecularnucleophilic aromatic substitution reaction step of the products of the attack of 2-(2-methoxyphenyl)benzimidazole on an epoxide and those of the opening of N-tosylaziridine, which is consistent with the experiment.

Keywords: alkylepoxides, 4-benzoxazepine fused to benzimidazole imine, benzonitrile N-oxide, DFT, intramolecular nucleophilic aromatic substitution, N-tosyl aziridine

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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

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Authors: Yan Zeng, Hongfang Ma, Haitao Zhang, Weiyong Ying

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Ni-based catalysts with different amounts of Na as promoter from 2 to 6 wt % were prepared by solution combustion method. The catalytic activity was investigated in syngas methanation reaction. Carbon oxides conversion and methane selectivity are greatly influenced by sodium loading. Adding 2 wt% Na remarkably improves catalytic activity and long-term stability, attributed to its smaller mean NiO particle size, better distribution, and milder metal-support interaction. However, excess addition of Na results in deactivation distinctly due to the blockage of active sites.

Keywords: nickel catalysts, syngas methanation, sodium, solution combustion method

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Authors: Saidur R. Chowdhury, Mamme K. Addai, Ernest K. Yanful

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The research was performed to assess the potential of nickel smelter slag, an industrial waste, as an adsorbent in the removal of metals from aqueous solution. An investigation was carried out for Arsenic (As), Copper (Cu), lead (Pb) and Cadmium (Cd) adsorption from aqueous solution. Smelter slag was obtain from Ni ore at the Vale Inco Ni smelter in Sudbury, Ontario, Canada. The batch experimental studies were conducted to evaluate the removal efficiencies of smelter slag. The slag was characterized by surface analytical techniques. The slag contained different iron oxides and iron silicate bearing compounds. In this study, the effect of pH, contact time, particle size, competition by other ions, slag dose and distribution coefficient were evaluated to measure the optimum adsorption conditions of the slag as an adsorbent for As, Cu, Pb and Cd. The results showed 95-99% removal of As, Cu, Pb, and almost 50-60% removal of Cd, while batch experimental studies were conducted at 5-10 mg/L of initial concentration of metals, 10 g/L of slag doses, 10 hours of contact time and 170 rpm of shaking speed and 25oC condition. The maximum removal of Arsenic (As), Copper (Cu), lead (Pb) was achieved at pH 5 while the maximum removal of Cd was found after pH 7. The column experiment was also conducted to evaluate adsorption depth and service time for metal removal. This study also determined adsorption capacity, adsorption rate and mass transfer rate. The maximum adsorption capacity was found to be 3.84 mg/g for As, 4 mg/g for Pb, and 3.86 mg/g for Cu. The adsorption capacity of nickel slag for the four test metals were in decreasing order of Pb > Cu > As > Cd. Modelling of experimental data with Visual MINTEQ revealed that saturation indices of < 0 were recorded in all cases suggesting that the metals at this pH were under- saturated and thus in their aqueous forms. This confirms the absence of precipitation in the removal of these metals at the pHs. The experimental results also showed that Fe and Ni leaching from the slag during the adsorption process was found to be very minimal, ranging from 0.01 to 0.022 mg/L indicating the potential adsorbent in the treatment industry. The study also revealed that waste product (Ni smelter slag) can be used about five times more before disposal in a landfill or as a stabilization material. It also highlighted the recycled slags as a potential reactive adsorbent in the field of remediation engineering. It also explored the benefits of using renewable waste products for the water treatment industry.

Keywords: adsorption, industrial waste, recycling, slag, treatment

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Authors: Y. Sakai, C. Wang

Abstract:

The decrease in agricultural production due to soil deterioration has been an urgent task. Soil acidification is a potentially serious land degradation issue and it will have a major impact on agricultural productivity and sustainable farming systems. In China, acid soil is mainly distributed in the southern part, the decrease in agricultural production and heavy metal contamination are serious problems. In addition, not only environmental and health problems due to the exhaust gas such as mainly sulfur dioxide (SO₂) but also the generation of a huge amount of construction and demolition wastes with the accelerating urbanization has emerged as a social problem in China. Therefore, the need for the recycling and reuse of both desulfurization waste and waste concrete is very urgent and necessary. So we have investigated the effectiveness as acid soil amendments of both coal bio-briquette ash and waste concrete. In this paper, acid soil (AS1) in Nanjing (pH=6.0, EC=1.6dSm-1) and acid soil (AS2) in Guangzhou (pH=4.1, EC=0.2dSm-1) were investigated in soil amelioration test. Soil amendments were three coal bio-briquette ashes (BBA1, BBA2 and BBA3), the waste cement fine powders (CFP) ( < 200µm (particle diameter)), waste concrete particles (WCP) ( < 4.75mm ( < 0.6mm, 0.6-1.0mm, 1.0-2.0mm, 2.0-4.75mm)), and six mixtures with two coal bio-briquette ashes (BBA2 and BBA3), CFP, WCP( < 0.6mm) and WCP(2.0-4.75mm). In acid soil amelioration test, the three BBAs, CFP and various WCPs based on exchangeable calcium concentration were added to two acid soils. The application rates were from 0 wt% to 3.5 wt% in AS1 test and from 0 wt% to 6.0 wt% in AS2 test, respectively. Soil chemical properties (pH, EC, exchangeable and soluble ions (Na, Ca, Mg, K)) before and after mixing with soil amendments were measured. In addition, Al toxicity and the balance of salts (CaO, K₂O, MgO) in soil after amelioration was evaluated. The order of pH and exchangeable Ca concentration that is effective for acid soil amelioration was WCP(0.6mm) > CFP > WCP(2.0-4.25mm) > BB1 > BB2 > BB3. In all AS 1 and AS 2 amelioration tests using three BBAs, the pH and EC increased slightly with the increase of application rate and reached to the appropriate value range of both pH and EC in BBA1 only. Because BBA1 was higher value in pH and exchangeable Ca. After that, soil pH and EC with the increase in the application rate of BBA2, BBA3 and by using CFP, WC( < 0.6mm), WC(2.0-4.75mm) as soil amendment reached to each appropriate value range, respectively. In addition, the mixture amendments with BBA2, BBA3 CFP, WC( < 0.6mm), and WC(2.0-4.75mm) could ameliorate at a smaller amount of application rate in case of BBA only. And the exchangeable Al concentration decreased drastically with the increase in pH due to soil amelioration and was under the standard value. Lastly, the heavy metal (Cd, As, Se, Ni, Cr, Pb, Mo, B, Cu, Zn) contents in new soil amendments were under control standard values for agricultural use in China. Thus we could propose a new acid soil amelioration method using coal bio-briquette ash and waste concrete in China.

Keywords: acid soil, coal bio-briquette ash, soil amelioration, waste concrete

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Authors: Nitu Chhikaraa, S. B. Tyagia, Kiran Jainb, Mamta Kharkwala

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The I–III–VI2 semiconductor Nanocrystals such as AgInS2 have great interest for various applications such as optical devices (solar cell and LED), cellular Imaging and bio tagging etc. we synthesized the phase and shape controlled chalcopyrite AgInS2 (AIS) colloidal nanoparticles by thermal decomposition of metal xanthate at low temperature in an organic solvent’s containing surfactant molecules. Here we are focusing on enhancements of photoluminescence of AgInS2 Nps by coating of ZnS at low temperature for application of optical devices. The size of core shell Nps was less than 50nm.by increasing the time and temperature the emission of the wavelength of the Zn coated AgInS2 Nps could be adjusted from visible region to IR the QY of the AgInS2 Nps could be increased by coating of ZnS from 20 to 80% which was reasonably good as compared to those of the previously reported. The synthesized NPs were characterized by PL, UV, XRD and TEM.

Keywords: PL, UV, XRD, TEM

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Authors: Todor N. Penchev, Dimitar N. Karastoianov, Stanislav D. Gyoshev

Abstract:

For compacting of iron powder are used hydraulic presses and high velocity hammers. In this paper are presented initial research on application of an innovative powder compacting method, which uses a hammer working with controlled impact. The results show that by this method achieves the reduction of rebounds and improve efficiency of impact, compared with a high-speed compacting. Depending on the power of the engine (industrial rocket engine), this effect may be amplified to such an extent as to obtain a impact without rebound (sticking impact) and in long-time action of the impact force.

Keywords: powder metallurgy, impact, iron powder compacting, rocket engine

Procedia PDF Downloads 526