World Academy of Science, Engineering and Technology

Authors: Getaneh Berie Tarekegn

Abstract:

A precise localization system is crucial for many artificial intelligence Internet of Things (AI-IoT) applications in the era of smart cities. Their applications include traffic monitoring, emergency alarming, environmental monitoring, location-based advertising, intelligent transportation, and smart health care. The most common method for providing continuous positioning services in outdoor environments is by using a global navigation satellite system (GNSS). Due to nonline-of-sight, multipath, and weather conditions, GNSS systems do not perform well in dense urban, urban, and suburban areas.This paper proposes a generative AI-based positioning scheme for large-scale wireless settings using fingerprinting techniques. In this article, we presented a novel semi-supervised deep convolutional generative adversarial network (S-DCGAN)-based radio map construction method for real-time device localization. We also employed a reliable signal fingerprint feature extraction method with t-distributed stochastic neighbor embedding (t-SNE), which extracts dominant features while eliminating noise from hybrid WLAN and long-term evolution (LTE) fingerprints. The proposed scheme reduced the workload of site surveying required to build the fingerprint database by up to 78.5% and significantly improved positioning accuracy. The results show that the average positioning error of GAILoc is less than 39 cm, and more than 90% of the errors are less than 82 cm. That is, numerical results proved that, in comparison to traditional methods, the proposed SRCLoc method can significantly improve positioning performance and reduce radio map construction costs.

Keywords: location-aware services, feature extraction technique, generative adversarial network, long short-term memory, support vector machine

Procedia PDF Downloads 80

Authors: Aptullah Karakas, Murat Baydogan

Abstract:

Hot-dip aluminizing (HDA) is one of the several aluminizing methods to form a wear-, corrosion- and oxidation-resistant aluminide layers on the surface. In this method, the substrate is dipped into a molten aluminum bath, hold in the bath for several minutes, and cooled down to the room temperature in air. A subsequent annealing after the HDA process is generally performed. The main advantage of HDA is its very low investment cost in comparison with other aluminizing methods such as chemical vapor deposition (CVD), pack aluminizing and metalizing. In the HDA process, Al or Al-Si molten baths are mostly used. However, in this study, three different Al alloys such as Al4043 (Al-Mg), Al5356 (Al-Si) and Al7020 (Al-Zn) were used as the molten bath in order to see their effects on morphological and mechanical properties of the resulting aluminide layers. AISI 4140 low alloyed steel was used as the substrate. Parameters of the HDA process were bath composition, bath temperature, and dipping time. These parameters were considered within a Taguchi L9 orthogonal array. After the HDA process and subsequent diffusion annealing, coating thickness measurement, microstructural analysis and hardness measurement of the aluminide layers were conducted. The optimum process parameters were evaluated according to coating morphology, such as cracks, Kirkendall porosity and hardness of the coatings. According to the results, smooth and clean aluminide layer with less Kirkendall porosity and cracks were observed on the sample, which was aluminized in the molten Al7020 bath at 700 C for 10 minutes and subsequently diffusion annealed at 750 C. Hardness of the aluminide layer was in between 1100-1300 HV and the coating thickness was approximately 400 µm. The results were promising such that a hard and thick aluminide layer with less Kirkendall porosity and cracks could be formed. It is, therefore, concluded that Al7020 bath may be used in the HDA process of AISI 4140 steel substrate.

Keywords: hot-dip aluminizing, microstructure, hardness measurement, diffusion annealing

Procedia PDF Downloads 79

Authors: Giovanni Meloni

Abstract:

Recent results are presented from experiments carried out at the Advanced Light Source (ALS) at the Chemical Dynamics Beamline of Lawrence Berkeley National Laboratory using multiplexed synchrotron photoionization mass spectrometry. The reaction mixture and a buffer gas (He) are introduced through individually calibrated mass flow controllers into a quartz slow flow reactor held at constant pressure and temperature. The gaseous mixture effuses through a 650 μm pinhole into a 1.5 mm skimmer, forming a molecular beam that enters a differentially pumped ionizing chamber. The molecular beam is orthogonally intersected by a tunable synchrotron radiation produced by the ALS in the 8-11 eV energy range. Resultant ions are accelerated, collimated, and focused into an orthogonal time-of-flight mass spectrometer. Reaction species are identified by their mass-to-charge ratios and photoionization (PI) spectra. Comparison of experimental PI spectra with literature and/or simulated curves is routinely done to assure the identity of a given species. With the aid of electronic structure calculations, potential energy surface scans are performed, and Franck-Condon spectral simulations are obtained. Examples of these experiments are discussed, ranging from new intermediates characterization to reaction mechanisms elucidation and biofuels oxidation pathways identification.

Keywords: mass spectrometry, reaction intermediates, synchrotron photoionization, oxidation reactions

Procedia PDF Downloads 78

Authors: Catherine Vasnetsov, Victor Vasnetsov

Abstract:

Context: Thermo-responsive polymers are materials that undergo significant changes in their physical properties in response to temperature changes. These polymers have gained significant attention in research due to their potential applications in various industries and medicine. However, the molecular mechanisms underlying their behavior are not well understood, particularly in relation to cosolvency, which is crucial for practical applications. Research Aim: This study aimed to theoretically investigate the phenomenon of cosolvency in long-chain polymers using the Flory-Huggins statistical-mechanical framework. The main objective was to understand the interactions between the polymer, solvent, and cosolvent under different conditions. Methodology: The research employed a combination of Monte Carlo computer simulations and advanced machine-learning methods. The Flory-Huggins mean field theory was used as the basis for the simulations. Spinodal graphs and ternary plots were utilized to develop an initial computer model for predicting polymer behavior. Molecular dynamic simulations were conducted to mimic real-life polymer systems. Machine learning techniques were incorporated to enhance the accuracy and reliability of the simulations. Findings: The simulations revealed that the addition of very low or very high volumes of cosolvent molecules resulted in smaller radii of gyration for the polymer, indicating poor miscibility. However, intermediate volume fractions of cosolvent led to higher radii of gyration, suggesting improved miscibility. These findings provide a possible microscopic explanation for the cosolvency phenomenon in polymer systems. Theoretical Importance: This research contributes to a better understanding of the behavior of thermo-responsive polymers and the role of cosolvency. The findings provide insights into the molecular mechanisms underlying cosolvency and offer specific predictions for future experimental investigations. The study also presents a more rigorous analysis of the Flory-Huggins free energy theory in the context of polymer systems. Data Collection and Analysis Procedures: The data for this study was collected through Monte Carlo computer simulations and molecular dynamic simulations. The interactions between the polymer, solvent, and cosolvent were analyzed using the Flory-Huggins mean field theory. Machine learning techniques were employed to enhance the accuracy of the simulations. The collected data was then analyzed to determine the impact of cosolvent volume fractions on the radii of gyration of the polymer. Question Addressed: The research addressed the question of how cosolvency affects the behavior of long-chain polymers. Specifically, the study aimed to investigate the interactions between the polymer, solvent, and cosolvent under different volume fractions and understand the resulting changes in the radii of gyration. Conclusion: In conclusion, this study utilized theoretical modeling and computer simulations to investigate the phenomenon of cosolvency in long-chain polymers. The findings suggest that moderate cosolvent volume fractions can lead to improved miscibility, as indicated by higher radii of gyration. These insights contribute to a better understanding of the molecular mechanisms underlying cosolvency in polymer systems and provide predictions for future experimental studies. The research also enhances the theoretical analysis of the Flory-Huggins free energy theory.

Keywords: molecular modelling, flory-huggins, cosolvency, stimuli-responsive polymers

Procedia PDF Downloads 73

Authors: Ghadeer Jalloul, Nour Hijazi, Cassia Boyadjian, Hussein Awala, Mohammad N. Ahmad, ‎Ahmad Albadarin

Abstract:

In this study, we applied Fe-sensitized TiO₂ supported over embryonic Beta zeolite (BEA) zeolite ‎for the photocatalytic degradation of Tetracycline (TC) antibiotic under visible light. Four different ‎samples having 20, 40, 60, and 100% w/w as a ratio of TiO₂/BEA were prepared. The ‎immobilization of solgel TiO₂ (33 m²/g) over BEA (390 m²/g) increased its surface area to (227 ‎m²/g) and enhanced its adsorption capacity from 8% to 19%. To expand the activity of TiO₂ ‎photocatalyst towards the visible light region (λ>380 nm), we explored two different metal ‎sensitization techniques with Iron ions (Fe³⁺). In the ion-exchange method, the substitutional cations ‎in the zeolite in TiO₂/BEA were exchanged with (Fe³⁺) in an aqueous solution of FeCl₃. In the ‎doping technique, solgel TiO₂ was doped with (Fe³⁺) from FeCl₃ precursor during its synthesis and ‎before its immobilization over BEA. (Fe-TiO₂/BEA) catalysts were characterized using SEM, XRD, ‎BET, UV-VIS DRS, and FTIR. After testing the performance of the various ion-exchanged catalysts ‎under blue and white lights, only (Fe-TiO₂/BEA 60%) showed better activity as compared to pure ‎TiO₂ under white light with 100 ppm initial catalyst concentration and 20 ppm TC concentration. As ‎compared to ion-exchanged (Fe-TiO₂/BEA), doped (Fe-TiO₂/BEA) resulted in higher photocatalytic ‎efficiencies under blue and white lights. The 3%-Fe-doped TiO₂/BEA removed 92% of TC ‎compared to 54% by TiO₂ under white light. The catalysts were also tested under real solar ‎irradiations. This improvement in the photocatalytic performance of TiO₂ was due to its higher ‎adsorption capacity due to BEA support combined with the presence of Iron ions that enhance the ‎visible light absorption and minimize the recombination effect by the charge carriers. ‎

Keywords: Tetracycline, photocatalytic degradation, immobilized TiO₂, zeolite, iron-doped TiO₂, ion-exchange

Procedia PDF Downloads 113

Authors: Karen L. Rincon-Granados, América R. Vázquez-Olmos, Adriana-Patricia Rodríguez-Hernández, Gina Prado-Prone, Margarita Rivera, Roberto Y. Sato-Berrú

Abstract:

In this work, a hybrid film based on poly-3-hydroxybutyrate (P3HB) and nickel ferrite (NiFe₂O₄) nanoparticles (NPs) was obtained by a simple and reproducible methodology in order to study its antibacterial and cytotoxic properties. The motivation for this research is the current antimicrobial resistance (RAM). This is a threat to human health and development worldwide. RAM is caused by the emergence of bacterial strains resistant to traditional antibiotics that were used as treatment. Due to this, the need to investigate new alternatives for preventing and treating bacterial infections emerges. In this sense, metal oxide NPs have aroused great interest due to their unique physicochemical properties. However, their use is limited by the nanostructured nature, commonly obtained by chemical and physical synthesis methods, as powders or colloidal dispersions. Therefore, the incorporation of nanostructured materials in polymer matrices to obtain hybrid materials that allow disinfecting and preventing the spread of bacteria on various surfaces. Accordingly, this work presents the synthesis and study of the antibacterial properties of the P3HB@NiFe₂O₄ hybrid film as a potential material to inhibit bacterial growth. The NiFe₂O₄ NPs were previously synthesized by a mechanochemical method. The P3HB and P3HB@NiFe₂O₄ films were obtained by the solvent casting method. The films were characterized by X-ray diffraction (XRD), Raman scattering, and scanning electron microscopy (SEM). The XRD pattern showed that the NiFe₂O₄ NPs were incorporated into the P3HB polymer matrix and retained their nanometric sizes. By energy dispersive X-ray spectroscopy (EDS), it was observed that the NPs are homogeneously distributed in the film. The bactericidal effect of the films obtained was evaluated in vitro using the broth surface method against two opportunistic and nosocomial pathogens, Staphylococcus aureus and Pseudomonas aeruginosa. The bacterial growth results showed that the P3HB@NiFe₂O₄ hybrid film was inhibited by 97% and 96% for S. aureus and P. aeruginosa, respectively. Surprisingly, the P3HB film inhibited both bacterial strains by around 90%. The cytotoxicity of the NiFe₂O₄ NPs, P3HB@NiFe₂O₄ hybrid film, and the P3HB film was evaluated using human skin cells, keratinocytes, and fibroblasts, finding that the NPs are biocompatible. The P3HB film and hybrids are cytotoxic, which demonstrated that although P3HB is known and reported as a biocompatible polymer, under our work conditions, P3HB was cytotoxic. Its bactericidal effect could be related to this activity. Its films are bactericidal and cytotoxic to keratinocytes and fibroblasts, the first barrier of human skin. Despite this, the hybrid film of P3HB@NiFe₂O₄ presents synergy with the bactericidal effect between P3HB and NPs, increasing bacterial inhibition. In addition, NPs decrease the cytotoxicity of P3HB to keratinocytes. The methodology used in this work was successful in producing hybrid films with antibacterial activity. However, future challenges are generated to find relationships between NPs and P3HB that allow taking advantage of their bactericidal properties and do not compromise biocompatibility.

Keywords: poly-3-hydroxybutyrate, nanoparticles, hybrid film, antibacterial

Procedia PDF Downloads 87

Authors: Meshal Alsaiari

Abstract:

Fused Deposition Modeling is one of the additive manufacturing technologies the industry is shifting to nowadays due to its simplicity and low affordable cost. The fabrication processing parameters predominantly influence FDM part strength and mechanical properties. This presentation will demonstrate the influences of the two manufacturing parameters on the tensile testing evaluation indexes, infill density, and Printing Orientation, which were analyzed to create a piping spacer suitable for oil and gas applications. The tensile specimens are made of two polymers, Acrylonitrile Styrene Acrylate (ASA) and High high-impact polystyrene (HIPS), to characterize the mechanical properties performance for creating the final product. The mechanical testing was carried out per the ASTM D638 testing standard, following Type IV requirements. Taguchi's experiment design using an L-9 orthogonal array was used to evaluate the performance output and identify the optimal manufacturing factors. The experimental results demonstrate that the tensile test is more pronounced with 100% infill for ASA and HIPS samples. However, the printing orientations varied in reactions; ASA is maximum at 0 degrees while HIPS shows almost similar percentages between 45 and 90 degrees. Taguchi-Gray integrated methodology was adopted to minimize the response and recognize optimal fabrication factors combinations.

Keywords: FDM, ASTM D638, tensile testing, acrylonitrile styrene acrylate

Procedia PDF Downloads 98

Authors: Peihao Huang, Chun Zhao

Abstract:

Thin-film transistors(TFTs) have the advantages of low power consumption, short reaction time, and have high research value in the field of semiconductors, based on this reason, people have focused on gallium oxide-indium oxide thin-film transistors, a relatively common thin-film transistor, elaborated and analyzed his production process, "aqueous solution method", explained the purpose of each step of operation, and finally explored the influence of potassium ions doped in the channel layer on the electrical properties of the device, as well as the effect of oxygen vacancies on its switching ratio and memory, and summarized the conclusions.

Keywords: aqueous solution, oxygen vacancies, switch ratio, thin-film transistor(TFT)

Procedia PDF Downloads 123

Authors: Faci Youcef

Abstract:

In the present work, an experimental study is carried out using the digital image correlation (DIC) technique to analyze the damage and behavior of woven composite carbon/epoxy under tensile loading. The tension mechanisms associated with failure modes of bolted joints in advanced composites are studied, as well as displacement distribution and strain distribution. The evolution value of bolt angle inclination during tensile tests was studied. In order to compare the distribution of displacements and strains along the surface, figures of image mapping are made. Several factors that are responsible for the failure of fiber-reinforced polymer composite materials are observed. It was found that strain concentrations observed in the specimens can be used to identify full-field damage onset and to monitor damage progression during loading. Moreover, there is an interaction between laminate pattern, laminate thickness, fastener size and type, surface strain concentrations, and out-of-plane displacement. Conclusions include a failure analysis associated with bolt angle inclinations and supported by microscopic visualizations of the composite specimen. The DIC results can be used to develop and accurately validate numerical models.

Keywords: Carbone, woven, damage, digital image, bolted joint, the inclination of angle

Procedia PDF Downloads 85

Authors: Zbigniew Szklarz, Aldona Garbacz-Klempka, Magdalena Bisztyga-Szklarz

Abstract:

Typical metallic alloys bases on one major alloying component, where the addition of other elements is intended to improve or modify certain properties, most of all the mechanical properties. However, in 1995 a new concept of metallic alloys was described and defined. High Entropy Alloys (HEA) contains at least five alloying elements in an amount from 5 to 20 at.%. A common feature this type of alloys is an absence of intermetallic phases, high homogeneity of the microstructure and unique chemical composition, what leads to obtaining materials with very high strength indicators, stable structures (also at high temperatures) and excellent corrosion resistance. Hence, HEA can be successfully used as a substitutes for typical metallic alloys in various applications where a sufficiently high properties are desirable. For fabricating HEA, a few ways are applied: 1/ from liquid phase i.e. casting (usually arc melting); 2/ from solid phase i.e. powder metallurgy (sintering methods preceded by mechanical synthesis) and 3/ from gas phase e.g. sputtering or 4/ other deposition methods like electrodeposition from liquids. Application of different production methods creates different microstructures of HEA, which can entail differences in their properties. The last two methods also allows to obtain coatings with HEA structures, hereinafter referred to as High Entropy Films (HEF). With reference to above, the crucial aim of this work was the optimization of the manufacturing process of the multi-component metallic layers (HEF) by the low- and high temperature electrochemical deposition ( ED). The low-temperature deposition process was crried out at ambient or elevated temperature (up to 100 ᵒC) in organic electrolyte. The high-temperature electrodeposition (several hundred Celcius degrees), in turn, allowed to form the HEF layer by electrochemical reduction of metals from molten salts. The basic chemical composition of the coatings was CoCrFeMnNi (known as Cantor’s alloy). However, it was modified by other, selected elements like Al or Cu. The optimization of the parameters that allow to obtain as far as it possible homogeneous and equimolar composition of HEF is the main result of presented studies. In order to analyse and compare the microstructure, SEM/EBSD, TEM and XRD techniques were employed. Morover, the determination of corrosion resistance of the CoCrFeMnNi(Cu or Al) layers in selected electrolytes (i.e. organic and non-organic liquids) was no less important than the above mentioned objectives.

Keywords: high entropy alloys, electrodeposition, corrosion behavior, microstructure

Procedia PDF Downloads 86

Authors: Mohamed A. Adam Abakar, Abdullah M. Asiri, Sher Bahadar Khan

Abstract:

In this paper, nickel oxide-zinc oxide (NiO-ZnO) catalyst was embedded in an alginate polymer (Na alg/NiO-ZnO), a nanocomposite that was used as a nano-catalyst for catalytic conversion of deleterious contaminants such as organic dyes (Acridine Orange “ArO”, Methylene Blue “MB”, Methyl Orange “MO”) and 4-Nitrophenol “4-NP” as well. FESEM, EDS, FTIR and XRD techniques were used to identify the shape and structure of the nano-catalyst (Na alg/NiO-ZnO). UV spectrophotometry is used to collect the results and it showed greater and faster reduction rate for MB (illustrated in figures 2, 3, 4 and 5). Data recorded and processed, drawing and analysis of graphs achieved by using Origin 2018. Reduction percentage of MB was assessed to be 95.25 % in just 13 minutes. Furthermore, the catalytic property of Na alg/NiO-ZnO in the reduction of organic dyes was investigated using various catalyst amounts, dye types, reaction times and reducing agent dosages at room temperature (rt). NaBH4-assisted reduction of organic dyes was studied using alg/NiO-ZnO as a potential catalyst.

Keywords: Alginate, metal oxides, nanocomposites-based, catalysts, reduction, photocatalytic degradation, water treatment

Procedia PDF Downloads 78

Authors: Frans J. Smit, Wisdom A. Munzeiwa, Hermanus C. M. Vosloo, Lyn-Marie Birkholtz, Richard K. Haynes

Abstract:

Malaria and antimicrobial infections remain significant global health concerns, necessitating the continuous search for novel therapeutic approaches. This abstract presents an overview of the potential use of triazenes as effective agents against malaria and various antimicrobial pathogens. Triazenes are a class of compounds characterized by a linear arrangement of three nitrogen atoms, rendering them structurally distinct from their cyclic counterparts. This study investigates the efficacy of triazenes against malaria and explores their antimicrobial activity. Preliminary results revealed significant antimalarial activity of the triazenes, as evidenced by in vitro screening against P. falciparum, the causative agent of malaria. Furthermore, the compounds exhibited broad-spectrum antimicrobial activity, indicating their potential as effective antimicrobial agents. These compounds have shown inhibitory effects on various essential enzymes and processes involved in parasite survival, replication, and transmission. The mechanism of action of triazenes against malaria involves interactions with critical molecular targets, such as enzymes involved in the parasite's metabolic pathways and proteins responsible for host cell invasion. The antimicrobial activity of the triazenes against bacteria and fungi was investigated through disc diffusion screening. The antimicrobial efficacy of triazenes has been observed against both Gram-positive and Gram-negative bacteria, as well as multidrug-resistant strains, making them potential candidates for combating drug-resistant infections. Furthermore, triazenes possess favourable physicochemical properties, such as good stability, solubility, and low toxicity, which are essential for drug development. The structural versatility of triazenes allows for the modification of their chemical composition to enhance their potency, selectivity, and pharmacokinetic properties. These modifications can be tailored to target specific pathogens, increasing the potential for personalized treatment strategies. In conclusion, this study highlights the potential of triazenes as promising candidates for the development of novel antimalarial and antimicrobial therapeutics. Further investigations are necessary to determine the structure-activity relationships and optimize the pharmacological properties of these compounds. The results warrant additional research, including MIC studies, to further explore the antimicrobial activity of the triazenes. Ultimately, these findings contribute to the development of more effective strategies for combating malaria and microbial infections.

Keywords: malaria, anti-microbials, triazene, resistance

Procedia PDF Downloads 109

Authors: Jiancheng Zheng

Abstract:

When metals are released into water from mining activities, they undergo changes chemically, physically and biologically and then may become more mobile and transportable along the waterway from their original sites. Natural colloids, including both organic and inorganic entities, are naturally occurring in any aquatic environment with sizes in the nanometer range. Natural colloids in a water system play an important role, quite often a key role, in binding and transporting compounds. When assessing and evaluating metals in natural waters, their sources, mobility, fate, and distribution patterns in the system are the major concerns from the point of view of assessing environmental contamination and pollution during resource development. There are a few ways to quantify colloids and accordingly study how metals distribute on different sizes of colloids. Current research results show that the presence of colloids can enhance the transport of some heavy metals in water, while heavy metals may also have an influence on the transport of colloids when cations in the water system change colloids and/or the ion strength of the water system changes. Therefore, studies into the relationship between different sizes of colloids and different metals in a water system are necessary and needed as natural colloids in water systems are complex mixtures of both organic and inorganic as well as biological materials. Their stability could be sensitive to changes in their shapes, phases, hardness and functionalities due to coagulation and deposition et al. and chemical, physical, and biological reactions. Because metal contaminants’ adsorption on surfaces of colloids is closely related to colloid properties, it is desired to fraction water samples as soon as possible after a sample is taken in the natural environment in order to avoid changes to water samples during transportation and storage. For this reason, this study carried out groundwater sample processing in the field, using Prep/Scale tangential flow filtration systems with 3-level cartridges (1 kDa, 10 kDa and 100 kDa). Groundwater samples from seven sites at Fort MacMurray, Alberta, Canada, were fractionated during the 2015 field sampling season. All samples were processed within 3 hours after samples were taken. Preliminary results show that although the distribution pattern of metals on colloids may vary with different samples taken from different sites, some elements often tend to larger colloids (such as Fe and Re), some to finer colloids (such as Sb and Zn), while some of them mainly in the dissolved form (such as Mo and Be). This information is useful to evaluate and project the fate and mobility of different metals in the groundwaters and possibly in environmental water systems.

Keywords: metal, colloid, groundwater, mobility, fractionation, sorption

Procedia PDF Downloads 367

Authors: Feleke Terefe Fanta

Abstract:

The existence of heavy metals and microbial contaminants in aquatic system of Akaki river basin, a sub city of Addis Ababa, has become a public concern as human population increases and land development continues. This is because effluents from chemical and pharmaceutical industries are directly discharged onto surrounding land, irrigation fields and surface water bodies. In the present study, we synthesised zeolites and copper- zeolite composite based adsorbent through cost effective and simple approach to mitigate the problem. The study presents determination of heavy metal content and microbial contamination level of waste water sample collected from Akaki river using zeolites and copper- doped zeolites as adsorbents. The synthesis of copper- zeolite X composite was carried out by ion exchange method of copper ions into zeolites frameworks. The optimum amount of copper ions loaded into the zeolites frameworks were studied using the pore size determination concept via iodine test. The copper- loaded zeolites were characterized by X-ray diffraction (XRD). The XRD analysis showed clear difference in phase purity of zeolite before and after copper ion exchange. The concentration of Cd, Cr, and Pb were determined in waste water sample using atomic absorption spectrophotometry. The mean concentrations of Cd, Cr, and Pb in untreated sample were 0.795, 0.654 and 0.7025 mg/L respectively. The concentration of Cd, Cr, and Pb decreased to 0.005, 0.052 and BDL mg/L for sample treated with bare zeolite X while a further decrease in concentration of Cd, Cr, and Pb (0.005, BDL and BDL) mg/L respectively was observed for the sample treated with copper- zeolite composite. The antimicrobial activity was investigated by exposing the total coliform to the Zeolite X and Copper-modified Zeolite X. Zeolite X and Copper-modified Zeolite X showed complete elimination of microbilas after 90 and 50 minutes contact time respectively. This demonstrates effectiveness of copper- zeolite composite as efficient disinfectant. To understand the mode of heavy metals removal and antimicrobial activity of the copper-loaded zeolites; the adsorbent dose, contact time, temperature was studied. Overall, the results obtained in this study showed high antimicrobial disinfection and heavy metal removal efficiencies of the synthesized adsorbent.

Keywords: waste water, copper doped zeolite x, adsorption heavy metal, disinfection

Procedia PDF Downloads 85

Authors: Abdelmessih Malak Sadek Labib

Abstract:

The Stability in harsh environments thanks to excellent electrical, mechanical and thermal properties is what ceramics are all about selected materials for many applications despite advent of new materials such as plastics and composites. However, ceramic materials have disadvantages, including brittleness. Fragility is often attributed to pottery strong covalent and ionic bonds in the ceramic body. There is still much to learn about brittle cracks in a attention to detail, hence the fragility of the ceramic and its catastrophic failure of a frequently studied topic, particularly in charging applications. One of the most commonly used ceramics for load-bearing applications such as veneers is porcelain. Porcelain is a type of traditional pottery. Traditional pottery consists mainly of three basic ingredients: clay, which gives plasticity; silica which maintains the shape and stability of the ceramic body over temperature high temperature; and feldspar affecting glazing. In traditional pottery, the inversion of quartz during cooling the process can create microcracks that act as a stress concentration centers. Consequently, subcritical crack growth is caused due to quartz inversion origins unpredictable catastrophic failure of the work of ceramic bodies when reloading. In the case of porcelain, however, this is what the mullite hypothesis says the strength of porcelain can be significantly increased with felt Interlocking of mullite needles in the ceramic body.in this way realistic assessment of the role of quartz and mullite Porcelain with a strength of is needed to grow stronger and smaller fragile porcelain. Currently,the lack of reports on Young's moduli in the literature leads to erroneous conclusions in this regard mechanical behavior of porcelain. Therefore, the current project uses the Young's modulus approach for the investigation the role of quartz and mullite on the mechanical strength of various porcelains, in addition to reducing particle size, flexural strength fractographic forces and techniques.

Keywords: materials, technical, ceramics, properties, thermal, stability, advantages

Procedia PDF Downloads 89

Authors: Siddhant Srivastav, Shilpa Singh, Sumanta Kumar Meher

Abstract:

Innovative renewable energy sources for energy storage/conversion is the demand of the current scenario in electrochemical machinery. In this context, choosing suitable organic precipitants for tuning the crystal characteristics and microstructures is a challenge. On the same note, herein we report broccoli flower-like porous Mn3O4/NiSe2−MnSe2 composite synthesized using a simple two step hydrothermal synthesis procedure assisted by sluggish precipitating agent and an effective cappant followed by intermediated anion exchange. The as-synthesized material was exposed to physical and chemical measurements depicting poly-crystallinity, stronger bonding and broccoli flower-like porous arrangement. The material was assessed electrochemically by cyclic voltammetry (CV), chronopotentiometry (CP) and electrochemical impedance spectroscopy (EIS) measurements. The Electrochemical studies reveal redox behavior, supercapacitive charge-discharge shape and extremely low charge transfer resistance. Further, the fabricated Mn3O4/NiSe2−MnSe2 composite based solid-state hybrid supercapacitor (Mn3O4/NiSe2−MnSe2 ||N-rGO) delivers excellent rate specific capacity, very low internal resistance, with energy density (~34 W h kg–1) of a typical rechargeable battery and power density (11995 W kg–1) of an ultra-supercapacitor. Consequently, it can be a favorable contender for supercapacitor applications for high performance energy storage utilizations. A definitive exhibition of the supercapacitor device is credited to electrolyte-ion buffering reservior alike behavior of broccoli flower like Mn3O4/NiSe2−MnSe2, enhanced by upgraded electronic and ionic conductivities of N- doped rGO (negative electrode) and PVA/KOH gel (electrolyte separator), respectively

Keywords: electrolyte-ion buffering reservoir, intermediated-anion exchange, solid-state hybrid supercapacitor, supercapacitive charge-dischargesupercapacitive charge-discharge

Procedia PDF Downloads 80

Authors: Kaining Zhang, Lang Chen, Danyang Liu, Jianying Lu, Kun Yang, Junying Wu

Abstract:

In order to solve the problem of a large amount of simulation and limited simulation scale in the first-principle molecular dynamics simulation of energetic material detonation reaction, we established an artificial intelligence model for analyzing and predicting the detonation reaction mechanism of CL-20 based on the first-principle molecular dynamics simulation of the multiscale shock technique (MSST). We employed principal component analysis to identify the dominant charge features governing molecular reactions. We adopted the K-means clustering algorithm to cluster the reaction paths and screen out the key reactions. We introduced the neural network algorithm to construct the mapping relationship between the charge characteristics of the molecular structure and the key reaction characteristics so as to establish a calculation method for predicting detonation reactions based on the charge characteristics of CL-20 and realize the rapid analysis of the reaction mechanism of energetic materials.

Keywords: energetic material detonation reaction, first-principle molecular dynamics simulation of multiscale shock technique, neural network, CL-20

Procedia PDF Downloads 119

Authors: Mukul Kumar Srivastava, Sumit Basu

Abstract:

Carbon fiber reinforced polymer (CFRP) composites find wide use in the space and aerospace industries primarily due to their favourable strength-to-weight ratios. However, in spite of the impressive mechanical properties, their ability to shield sophisticated electronics from electromagnetic interference (EMI) is rather limited. As a result, metallic wire meshes or metal foils are often embedded in CFRP composites to provide adequate EMI shielding. This comes at additional manufacturing cost, increased weight and, particularly in cases of aluminium, increased risk of galvanic corrosion in the presence of moisture. In this work, we will explore ways of enhancing EMI shielding of CFRP laminates in the 8-12 GHz range (the so-called X-band), without compromising their mechanical and fracture properties, through minimal modifications to their current well-established fabrication protocol. The computational-experimental study of EMI shielding in CFRP laminates will focus on the effects of incorporating multiwalled carbon nanotubes (MWCNT) and conducting nanoparticles in different ways in the resin and/or carbon fibers. We will also explore the possibility of utilising the excellent absorbing properties of MWCNT reinforced polymer foams to enhance the overall EMI shielding capabilities.

Keywords: EMI shielding, X-band, CFRP, MWCNT

Procedia PDF Downloads 87

Authors: Salima Tabti, Chaima Maouche, Tinhinene Louaileche, Amel Djedouani, Ismail Warad

Abstract:

Novel Schiff base ligand HL has been synthesized by condensation of aromatic amine and DHA. It was characterized by UV-Vis, FT-IR, SM, NMR (1H, 13C) and also by single-crystal X-ray diffraction. The crystal structure shows that compound crystallized in a triclinic system in P-1 space group and with a two unit per cell (Z = 2).The asymmetric unit, contains one independent molecules, the conformation is determined by an intermolecular N-H…O hydrogen bond with an S(6) ring motif. The molecule have an (E) conformation about the C=N bond. The dihedral angles between the phenyl and pyran ring planes is 89.37 (1), the two plans are approximately perpendicular. The catecholase activity of is situ copper complexes of this ligand has been investigated against catechol. The progress of the oxidation reactions was closely monitored over time following the strong peak of catechol using UV-Vis. Oxidation rates were determined from the initial slope of absorbance. time plots, then analyzed by Michaelis-Menten equations. Catechol oxidation reactions were realized using different concentrations of copper acetate and ligand (L/Cu: 1/1, 1/2, 2/1). The results show that all complexes were able to catalyze the oxidation of catechol. Acetate complexes have the highest activity. Catalysis is a branch of chemical kinetics that, more generally, studies the influence of all physical or chemical factors determining reaction rates. It solves a lot of problems in the chemistry reaction process, especially for a green, economic and less polluting chemistry. For this reason, the search for new catalysts for known organic reactions, occupies a very advanced place in the themes proposed by the chemists.

Keywords: dehydroacetic acid, catechol, copper, catecholase activity, x-ray

Procedia PDF Downloads 115

Authors: Hamida Y. Mostafa, Ghada E. Khedr, Dina M. Abd El-Aty

Abstract:

Sulfur compound removal from petroleum fractions is a critical component of environmental protection demands. Solvent extraction, oxidative desulfurization, or hydro-treatment techniques have traditionally been used as the removal processes. While all methods were capable of eliminating sulfur compounds at moderate rates, they had some limitations. A major problem with these routes is their high running expenses, which are caused by their prolonged operation times and high energy consumption. Therefore, new methods for removing sulfur are still necessary. In the current study, a simple assisted desulfurization system for gas oil fraction has been successfully developed using acetonitrile and methanol as a solvent under microwave irradiation. The key variables affecting sulfur removal have been studied, including microwave power, irradiation time, and solvent to gas oil volume ratio. At the conclusion of the research that is being presented, promising results have been found. The results show that a microwave-assisted extractive desulfurization method had remove sulfur with a high degree of efficiency under the suitable conditions.

Keywords: extractive desulfurization, microwave assisted extraction, petroleum fractions, acetonitrile and methanol

Procedia PDF Downloads 109

Authors: Samar Aoujia, Théo Guérineaub, Rayan Zaitera, Evelyne Fargina, Younès Messaddeqb, Thierry Cardinala

Abstract:

Two barium gallo-germanate glass series were elaborated to investigate the effect of the yttrium introduction on the glass physicochemical properties and crystallization behavior. One to twenty mol% of YO3/2 were either added into the glass matrix or substituted for gallium oxide. The glass structure was studied by Raman spectroscopy, and the thermal, optical, thermo-mechanical and physical properties are examined. The introduction of yttrium ions in both glass series increases the glass transition temperature, crystallization temperature, softening temperature, coefficient of linear thermal expansion and density. Through differential scanning calorimetry and X-ray diffraction analyses, it was found that competition occurs between the gallo-germanate zeolite-type phase and the yttrium-containing phase. From 13 mol% of YO3/2, the yttrium introduction impedes the formation of surface crystallization in these glasses.

Keywords: photonic, heavy-metal oxide, glass, crystallization

Procedia PDF Downloads 147

Authors: Hasnaa Benchorfi

Abstract:

The Tellurite glasses exhibit interesting properties, notably their low melting point (700-900°C), high refractive index (≈2), high transparency in the infrared region (up to 5−6 μm), interesting linear and non-linear optical properties and high rare earth ions solubility. These properties give tellurite glasses a great interest in various optical applications. Transparent ceramics present advantages compared to glasses, such as improved mechanical, thermal and optical properties. But, the elaboration process of these ceramics requires complex sintering conditions. The full crystallization of glass into transparent ceramics is an alternative to circumvent the technical challenges related to the ceramics obtained by conventional processing. In this work, a crystallization study of a specific glass composition in the system TeO2-Ta2O5-Bi2O3 shows structural transitions from the glass to the stabilization of an unreported anti-glass phase to a transparent ceramic upon heating. An anti-glass is a material with a cationic long-range order and a disordered anion sublattice. Thus, the X-ray diffraction patterns show sharp peaks, while the Raman bands are broad and similar to those of the parent glass. The structure and microstructure of the anti-glass and corresponding ceramic were characterized by Powder X-Ray Diffraction, Electron Back Scattered Diffraction, Transmission Electron Microscopy and Raman spectroscopy. The optical properties of the Er3+-doped samples are also discussed.

Keywords: glass, congruent crystallization, anti-glass, glass-ceramic, optics

Procedia PDF Downloads 83

Authors: Shanakr Bhattarai, V. S. Tiwari, Barak Akabayov

Abstract:

The plummeting number of infections and death is due to the development of drug-resistant bacteria. In addition, the number of approved antibiotic drugs by the Food and Drug Administration (FDA) is insufficient. Therefore, developing new drugs and finding novel targets for central metabolic pathways in bacteria is urgently needed. One of the promising targets is DNA replication machinery which consists of many essential proteins and enzymes. DnaG primase is an essential enzyme and a central part of the DNA replication machinery. DnaG primase synthesizes short RNA primers that initiate the Okazaki fragments by the lagging strand DNA polymerase. Therefore, it is reasonable to assume that inhibition of primase activity will stall DNA replication and prevent bacterial proliferation. We did the expression and purification of eight different bacterial DnaGs (Mycobacterium tuberculosis(Mtb), Bacillus anthracis (Ba), Mycobacterium smegmatis (Msmeg), Francisella tularencis (Ft), Vibrio cholerae (Vc) and Yersinia pestis (Yp), Staphylococcus aureus(Saureus), Escherichia coli(Ecoli)) followed by the radioactive activity assay. After obtaining the pure and active protein DnaG, we synthesized the inhibitors for them. The inhibitors were divided into five different groups, each containing five molecules, and the cocktail inhibition assay was performed against each DnaGs. The groups of molecules inhibiting the DnaGs were further tested with individual molecules belonging to inhibiting groups. Each molecule showing inhibition was titrated against the corresponding DnaGs to find IC50. We got a molecule(VS167) that acted as broad inhibitors, inhibiting all eight DnaGs. Molecules VS180 and VS186 inhibited seven DnaGs (except Saureus). Similarly, two molecules(VS 173, VS176) inhibited five DnaGs (Mtb, Ba, Ft, Yp, Ecoli). VS261 inhibited four DnaGs (Mtb, Ba, Ft, Vc). MS50 inhibited Ba and Vc DnaGs. And some of the inhibitors inhibited only one DnaGs. Thus we found the broad and specific inhibitors for different bacterial DnaGs, and their Structure-activity analysis(SAR) was done. Further, We tried to explain the similarities among the enzyme DnaGs from different bacteria based on their inhibition pattern.

Keywords: DNA replication, DnaG, okazaki fragments, antibiotic drugs

Procedia PDF Downloads 95

Authors: Bendjaballah Malek; Makhlouf Mohammed Rabeh; Boukerche Imane; Benhamza Mohammed El Hocine

Abstract:

In this study, chitosan was derived from Parapenaeus longirostris shrimp shells sourced from a local market in Annaba, eastern Algeria. The extraction process entailed four chemical stages: demineralization, deproteinization, decolorization, and deacetylation. The degree of deacetylation was calculated to be 80.86 %. The extracted chitosan was physically altered to synthesize chitosan beads and characterized via FTIR and XRD analysis. These beads were employed to eliminate cadmium ions from synthetic water. The batch adsorption process was optimized by analyzing the impact of contact time, pH, adsorbent dose, and temperature. The adsorption capacity of and Cd+2 on chitosan beads was found to be 6.83 mg/g and 7.94 mg/g, respectively. The kinetic adsorption of Cd+2 conformed to the pseudo-first-order model, while the isotherm study indicated that the Langmuir Isotherm model well described the adsorption of cadmium . A thermodynamic analysis demonstrated that the adsorption of Cd+2 on chitosan beads is spontaneous and exothermic.

Keywords: Cd, chitosan, chitosanbeds, bioadsorbent

Procedia PDF Downloads 104

Authors: Svetlana Petlitckaia, Toussaint Barboni, Paul-Antoine Santoni

Abstract:

Plastic is a revolutionary material. However, the pollution caused by plastics damages the environment, human health and the economy of different countries. It is important to find new ways to recycle and reuse plastic material. The use of waste materials as filler and as a matrix for composite materials is receiving increasing attention as an approach to increasing the economic value of streams. In this study, a new composite material based on high-density polyethylene (HDPE) and polypropylene (PP) wastes from bottle caps and cork powder from unused cork (virgin cork), which has a high capacity for thermal insulation, was developed. The composites were prepared with virgin and modified cork. The composite materials were obtained through twin-screw extrusion and injection molding. The composites were produced with proportions of 0 %, 5 %, 10 %, 15 %, and 20 % of cork powder in a polymer matrix with and without coupling agent and flame retardant. These composites were investigated in terms of mechanical, structural and thermal properties. The effect of cork fraction, particle size and the use of flame retardant on the properties of composites were investigated. The properties of samples elaborated with the polymer and the cork were compared to them with the coupling agent and commercial flame retardant. It was observed that the morphology of HDPE/cork and PP/cork composites revealed good distribution and dispersion of cork particles without agglomeration. The results showed that the addition of cork powder in the polymer matrix reduced the density of the composites. However, the incorporation of natural additives doesn’t have a significant effect on water adsorption. Regarding the mechanical properties, the value of tensile strength decreases with the addition of cork powder, ranging from 30 MPa to 19 MPa for PP composites and from 19 MPa to 17 MPa for HDPE composites. The value of thermal conductivity of composites HDPE/cork and PP/ cork is about 0.230 W/mK and 0.170 W/mK, respectively. Evaluation of the flammability of the composites was performed using a cone calorimeter. The results of thermal analysis and fire tests show that it is important to add flame retardants to improve fire resistance. The samples elaborated with the coupling agent and flame retardant have better mechanical properties and fire resistance. The feasibility of the composites based on cork and PP and HDPE wastes opens new ways of valorizing plastic waste and virgin cork. The formulation of composite materials must be optimized.

Keywords: composite materials, cork and polymer wastes, flammability, modificated cork

Procedia PDF Downloads 94

Authors: Irshad U. Khan, Tanmay Paul, Murali Mohan Seepana

Abstract:

This paper presents a study on synthesizing and characterizing a Copper oxide doped Carbon (CuO-C) electrocatalyst for the negative half-cell reactions of Vanadium Redox Flow Battery (VRFB). The CuO was synthesized using a microreactor. The electrocatalyst was characterized using X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), and Field Emission Scanning Electron Microscopy (SEM). The electrochemical performance was assessed by linear sweep voltammetry (LSV). The findings suggest that the synthesized CuO exhibited favorable crystallinity, morphology, and surface area, which reflects improved cell performance.

Keywords: ECSA, electrocatalyst, energy storage, Tafel

Procedia PDF Downloads 95

Authors: Rupan Das Chakraborty, Surendra K. Martha

Abstract:

Hard carbons (HCs) are extensively used as anode materials for sodium-ion batteries due to their availability, low cost, and ease of synthesis. It possesses the ability to store Na ion between stacked sp2 carbon layers and micropores. In this work, hard carbons are synthesized from different concentrations (0.5M to 5M) of dextrose solutions by hydrothermal synthesis followed by high-temperature calcination at 1100 ⁰C in an inert atmosphere. Dextrose has been chosen as a precursor material as it is a eco-friendly and renewable source. Among all hard carbon derived from different concentrations of dextrose solutions, hard carbon derived from 3M dextrose solution delivers superior electrochemical performance compared to other hard carbons. Hard carbon derived from 3M dextrose solution (Dextrose derived Hard Carbon-3M) provides an initial reversible capacity of 257 mAh g-1 with a capacity retention of 83 % at the end of 100 cycles at 30 mA g-1). The carbons obtained from different dextrose concentration show very similar Cyclic Voltammetry and chargedischarging behavior at a scan rate of 0.05 mV s-1 the Cyclic Voltammetry curve indicate that solvent reduction and the solid electrolyte interface (SEI) formation start at E < 1.2 V (vs Na/Na+). Among all 3M dextrose derived electrode indicate as a promising anode material for Sodium-ion batteries (SIBs).

Keywords: dextrose derived hard carbon, anode, sodium-ion battery, electrochemical performance

Procedia PDF Downloads 121

Authors: Tesfaye Tebeka Simur, Tian-Yu Peng, Yi-Feng Wang, Xiu-Wei Wu, Feng-Lian Zhang

Abstract:

A boryl radical-promoted dehydroxylative alkylation of 3-hydroxy-oxindole derivatives is achieved. The reaction starts from addition of 4-dimethylaminopyridine (DMAP)-boryl radical to the amide carbonyl oxygen atom, which induces a spin-center shift process to promote the C−O bond cleavage. The elimination of a hydroxide anion from a free hydroxy group is also accomplished. Capture of the generated carbon radical with alkenes furnishes a variety of C-3 alkylated oxindoles. This method features a simple operation and broad substrate scope.

Keywords: boryl radical, C-O, C-F, C=C, C=N bond activation, spin center shift

Procedia PDF Downloads 103

Authors: Zair Mohammed El Amine, Chemouri Hafida, Derbal Habak Hassina

Abstract:

Organic photovoltaic cells are electronic devices that convert sunlight into electricity. To this end, the number of studies on organic photovoltaic cells (OVCs) is growing, and this trend is expected to continue. Computational studies are still needed to verify and prove the capability of CVOs, specifically the nanometer molecule PCBM, based on successful experimental results. In this paper, we present a theoretical and computational investigation of PCBM and PC71BM derivatives using the DFT method. On this basis, we employ independent and time-dependent density theories. HOMO, LUMO and GAPH-L energies, ionization potentials and electronic affinity are determined and found to be in agreement with experiments. Using DFT theory based on B3LYP and M062X methods with bases 6-31G (d,p) and 6-311G (d), calculations show that the most efficient acceptors are presented in the group of PC71BM derivatives and are in substantial agreement with experiments. The geometries of the structures are optimized by Gaussian 09.

Keywords: PCBM, P3HT, organic cell solar, DFT, TD-DFT

Procedia PDF Downloads 90

Authors: Alhulw H. Alshammari, Ahmed Iraqi, S. A. Saad, T. A. Taha

Abstract:

In this work, we present for the first time the study of Raman spectra and dielectric relaxation of polyester polymer-CoFe₂O₄ (5.0, 10.0, 15.0, and 20.0 wt%) nanocomposites. Raman spectroscopy was applied as a sensitive structural identification technique to characterize the polyester-CoFe₂O₄ nanocomposites. The images of AFM confirmed the uniform distribution of CoFe₂O₄ inside the polymer matrix. Dielectric relaxation was employed as an important analytical technique to obtain information about the ability of the polymer nanocomposites to store and filter electrical signals. The dielectric relaxation analyses were carried out on the polyester-CoFe₂O₄ nanocomposites at different temperatures. An increase in dielectric constant ε₁ was observed for all samples with increasing temperatures due to the alignment of the electric dipoles with the applied electric field. In contrast, ε₁ decreased with increasing frequency. This is attributed to the difficulty for the electric dipoles to follow the electric field. The α relaxation peak that appeared at a high frequency shifted to higher frequencies when increasing the temperature. The activation energies for Maxwell-Wagner Sillar (MWS) changed from 0.84 to 1.01 eV, while the activation energies for α relaxations were 0.54 – 0.94 eV. The conduction mechanism for the polyester- CoFe₂O₄ nanocomposites followed the correlated barrier hopping (CBH) model.

Keywords: AC conductivity, activation energy, dielectric permittivity, polyester nanocomposites

Procedia PDF Downloads 120