Search results for: solid glass

Authors: Brahim Mazian, Anne Bergeret, Jean-Charles Benezet, Sandrine Bayle, Luc Malhautier

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Hemp fibers are increasingly used as reinforcements in polymer matrix composites due to their competitive performance (low density, mechanical properties and biodegradability) compared to conventional fibres such as glass fibers. However, the huge variation of their biochemical, physical and mechanical properties limits the use of these natural fibres in structural applications when high consistency and homogeneity are required. In the hemp industry, traditional processes termed field retting are commonly used to facilitate the extraction and separation of stem fibers. This retting treatment consists to spread out the stems on the ground for a duration ranging from a few days to several weeks. Microorganisms (fungi and bacteria) grow on the stem surface and produce enzymes that degrade pectinolytic substances in the middle lamellae surrounding the fibers. This operation depends on the weather conditions and is currently carried out very empirically in the fields so that a large variability in the hemp fibers quality (mechanical properties, color, morphology, chemical composition…) is resulting. Nonetheless, if controlled, retting might be favorable for good properties of hemp fibers and then of hemp fibers reinforced composites. Therefore, the present study aims to investigate the influence of controlled retting within a designed environmental chamber (lab-scale pilot unit) on the quality of the hemp fibres harvested at the seed maturity growth stage. Various assessments were applied directly on fibers: color observations, morphological (optical microscope), surface (ESEM), biochemical (gravimetry) analysis, spectrocolorimetric measurements (pectins content), thermogravimetric analysis (TGA) and tensile testing. The results reveal that controlled retting leads to a rapid change of color from yellow to dark grey due to development of microbial communities (fungi and bacteria) at the stem surface. An increase of thermal stability of fibres due to the removal of non-cellulosic components along retting is also observed. A separation of bast fibers to elementary fibers occurred with an evolution of chemical composition (degradation of pectins) and a rapid decrease in tensile properties (380MPa to 170MPa after 3 weeks) due to accelerated retting process. The influence of controlled retting on the biocomposite material (PP / hemp fibers) properties is under investigation.

Keywords: controlled retting, hemp fibre, mechanical properties, thermal stability

Procedia PDF Downloads 156

Authors: Wiqar Hussain Shah

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The electrical and thermal properties of the doped Tellurium Telluride (Tl10Te6) chalcogenide nano-particles are mainly characterized by a competition between metallic (hole doped concentration) and semi-conducting state. We have studied the effects of Sn doping on the electrical and thermoelectric properties of Tl10-xSnxTe6 (1.00 ≤x≤ 2.00), nano-particles, prepared by solid state reactions in sealed silica tubes and ball milling method. Structurally, all these compounds were found to be phase pure as confirmed by the x-rays diffractometery (XRD) and energy dispersive X-ray spectroscopy (EDS) analysis. Additionally crystal structure data were used to model the data and support the findings. The particles size was calculated from the XRD data by Scherrer’s formula. The EDS was used for an elemental analysis of the sample and declares the percentage of elements present in the system. The thermo-power or Seebeck co-efficient (S) was measured for all these compounds which show that S increases with increasing temperature from 295 to 550 K. The Seebeck coefficient is positive for the whole temperature range, showing p-type semiconductor characteristics. The electrical conductivity was investigated by four probe resistivity techniques revealed that the electrical conductivity decreases with increasing temperature, and also simultaneously with increasing Sn concentration. While for Seebeck coefficient the trend is opposite which is increases with increasing temperature. These increasing behavior of Seebeck coefficient leads to high power factor which are increases with increasing temperature and Sn concentration except For Tl8Sn2Te6 because of lowest electrical conductivity but its power factor increases well with increasing temperature.

Keywords: Sn doping in Tellurium Telluride nano-materials, electron holes competition, Seebeck co-efficient, effects of Sn doping on Electrical conductivity, effects on Power factor

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Authors: Anjuri Srivastava, Akhouri Nishant Bhanu

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Soil is a natural material with a distinctive form. It is regarded to be a natural source of nutrients and minerals for plants. It meets many of our needs through the crops, trees, and inhabited places that have grown on or underneath it. Productive and rich soil plays a crucial role in both its wealth and well-being. If any external substance changes the soil's composition, it directly impacts the plant that was grown in that soil. If the soil is deficient in one or more essential components, fly ash can be utilized as fertilizer by incorporating it into the soil. This can also increase the porosity of the soil. Fly ash has a sufficient concentration of essential components to promote the growth of plants. The high concentration of elements in fly ash, including C, Na, K, Fe, and Zn, increases crop yields. Hazardous compounds harm plant life as soon as they get into the soil. The US Environmental Protection Agency and other regulatory agencies have found it as non-hazardous. By employing fly ash as a potential fertilizer supplement for degraded soils, the problem of disposing of solid waste can be partially handled. Fly ash's rapid growth can slow down mineralization because it contains a higher proportion of harmful heavy metals. The chemical characteristics, inclusion ratio, and composting process of fly ash have a significant impact on the fly ash compost’s potential to improve soil nutrition. Research institutions and regulatory agencies have been thoroughly investigating fly ash for a long time. Guard cells on plant leaves that accumulate fly ash trigger the regulatory system. Fly ash increases both chemical and physical damage at certain humidity levels. The lengthy sowing period is caused by the high levels of fly ash in the soil, which also slows down seedling germination and growth. For the sake of human health, it is crucial to consider the bioaccumulation of dangerous heavy metals and their necessary concentrations in plant tissues and soil.

Keywords: soil, fly ash, plant, fertilizer, composts

Procedia PDF Downloads 99

Authors: Annur Suhadi, Haris B. Harahap, Zaim Arrosyidi, Epan, Darmapala

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Oilfields under waterflood often face the problem of plugging injectors either by internal filtration or external filter cake built up inside pore throats. The content of suspended solids shall be reduced to required level of filtration since corrective action of plugging is costly expensive. The performance of nutshell filters, where filtration takes place, is good using pecan and walnut shells. Candlenut shells were used instead of pecan and walnut shells since they were abundant in Indonesia, Malaysia, and East Africa. Physical and chemical properties of walnut, pecan, and candlenut shells were tested and the results were compared. Testing, using full-scale nutshell filters, was conducted to determine the oil content, turbidity, and suspended solid removal, which was based on designed flux rate. The performance of candlenut shells, which were deeply bedded in nutshell filters for filtration process, was monitored. Cleaned water outgoing nutshell filters had total suspended solids of 17 ppm, while oil content could be reduced to 15.1 ppm. Turbidity, using candlenut shells, was below the specification for injection water, which was less than 10 Nephelometric Turbidity Unit (NTU). Turbidity of water, outgoing nutshell filter, was ranged from 1.7-5.0 NTU at various dates of operation. Walnut, pecan, and candlenut shells had moisture content of 8.98 wt%, 10.95 wt%, and 9.95 wt%, respectively. The porosity of walnut, pecan, and candlenut shells was significantly affected by moisture content. Candlenut shells had property of toluene solubility of 7.68 wt%, which was much higher than walnut shells, reflecting more crude oil adsorption. The hardness of candlenut shells was 2.5-3 Mohs, which was close to walnut shells’ hardness. It was advantage to guarantee the cleaning filter cake by fluidization process during backwashing.

Keywords: candlenut shells, filtration, nutshell filter, pecan shells, walnut shells

Procedia PDF Downloads 111

Authors: Shuo Wang

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The hydrogeological parameters of the engineering site and the hydraulic connection between the aquifers can be obtained by the pumping test. Through the recovery test, the characteristics of water level recovery and the law of surface subsidence recovery can be understood. The above two tests can provide the basis for subsequent engineering design. At present, the deformation of deep soil caused by pumping tests is often neglected. However, some studies have shown that the maximum settlement subject to groundwater drawdown is not necessarily on the surface but in the deep soil. In addition, the law of settlement recovery of each soil layer subject to water level recovery is not clear. If the deformation-sensitive structure is deep in the test site, safety accidents may occur. In this study, the pumping test and recovery test of a confined aquifer in Shanghai are introduced. The law of measured groundwater changes and surface subsidence are analyzed. In addition, the fluid-solid coupling model was established by ABAQUS based on the Biot consolidation theory. The models are verified by comparing the computed and measured results. Further, the variation law of water level and the deformation law of deep soil during pumping and recovery tests under different site conditions and different times and spaces are discussed through the above model. It is found that the maximum soil settlement caused by pumping in a confined aquifer is related to the permeability of the overlying aquitard and pumping time. There is a lag between soil deformation and groundwater changes, and the recovery rate of settlement deformation of each soil layer caused by the rise of water level is different. Finally, some possible research directions are proposed to provide new ideas for academic research in this field.

Keywords: coupled hydro-mechanical analysis, deep ground settlement, numerical simulation, pumping test, recovery test

Procedia PDF Downloads 45

Authors: P. Leo, E. Cerri, L. Fratini, G. Buffa

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The Friction Stir Welding process uses an inert rotating mandrel and a force on the mandrel normal to the plane of the sheets to generate the frictional heat. The heat and the stirring action of the mandrel create a bond between the two sheets without melting the base metal. As matter of fact, the use of a solid state welding process limits the insurgence of defects, due to the presence of gas in melting bath, and avoids the negative effects of materials metallurgical transformation strictly connected with the change of phase. The industrial importance of Ti-6Al-4V alloy is well known. It provides an exceptional good balance of strength, ductility, fatigue and fracture properties together with good corrosion resistance and good metallurgical stability. In this paper, the authors analyze the microstructure of friction stir welded joints of Ti-6Al-4V processed at the same travel speed (35 mm/min) but at different rotation speeds (300-500 rpm). The microstructure of base material (BM), as result from both optical microscope and scanning electron microscope analysis is not homogenous. It is characterized by distorted α/β lamellar microstructure together with smashed zone of fragmented β layer and β retained grain boundary phase. The BM has been welded in the-as received state, without any previous heat treatment. Even the microstructure of the transverse and longitudinal sections of joints is not homogeneous. Close to the top of weld cross sections a much finer microstructure than the initial condition has been observed, while in the center of the joints the microstructure is less refined. Along longitudinal sections, the microstructure is characterized by equiaxed grains and lamellae. Both the length and area fraction of lamellas increases with distance from longitudinal axis. The hardness of joints is higher than that of BM. As the process temperature increases the average microhardness slightly decreases.

Keywords: friction stir welding, microhardness, microstructure, Ti-6Al-4V

Procedia PDF Downloads 381

Authors: Yolla Miranda, Marini Altyra, Karina Kalmapuspita Imas

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Oily sludge wastes always fill in upstream and downstream petroleum industry process. Sludge still contains oil that can use for energy storage. Recycling sludge is a method to handling it for reduce the toxicity and very probable to get the remaining oil around 20% from its volume. Froth flotation, a common method based on chemical unit for separate fine solid particles from an aqueous suspension. The basic composition of froth flotation is the capture of oil droplets or small solids by air bubbles in an aqueous slurry, followed by their levitation and collection in a froth layer. This method has been known as no intensive energy requirement and easy to apply. But the low efficiency and unable treat the high viscosity become the biggest problem in froth flotation unit. This study give the design to manage the high viscosity of sludge first and then entering the froth flotation including cavitation tube on it to change the bubbles into nano particles. The recovery in flotation starts with the collision and adhesion of hydrophobic particles to the air bubbles followed by transportation of the hydrophobic particle-bubble aggregate from the collection zone to the froth zone, drainage and enrichment of the froth, and finally by its overflow removal from the cell top. The effective particle separation by froth flotation relies on the efficient capture of hydrophobic particles by air bubbles in three steps. The important step is collision. Decreasing the bubble particles will increasing the collision effect. It cause the process more efficient. The pre-treatment, froth flotation, and cavitation tube integrated each other. The design shows the integrated unit and its process.

Keywords: sludge oil recovery, froth flotation, cavitation tube, nanobubbles, high viscosity

Procedia PDF Downloads 381

Authors: Salma Loukman, Reda Benmrid, Najat Bouchmaa, Hicham Hboub, Rachid El Fatimy, Rachid Benhida

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In this study, it use integrated transcriptomic datasets from the GEO repository with the purpose of investigating immune dysregulation in COVID-19. Thus, in this context, we decided to be focused on NK cells and CD14+ monocytes gene expression, considering datasets GSE165461 and GSE198256, respectively. Other datasets with PBMCs, lung, olfactory, and sensory epithelium and lymph were used to provide robust validation for our results. This approach gave an integrated view of the immune responses in COVID-19, pointing out a set of potential biomarkers and therapeutic targets with special regard to standards of physiological conditions. IFI27, MKI67, CENPF, MBP, HBA2, TMEM158, THBD, HBA1, LHFPL2, SLA, and AC104564.3 were identified as key genes from our analysis that have critical biological processes related to inflammation, immune regulation, oxidative stress, and metabolic processes. Consequently, such processes are important in understanding the heterogeneous clinical manifestations of COVID-19—from acute to long-term effects now known as 'long COVID'. Subsequent validation with additional datasets consolidated these genes as robust biomarkers with an important role in the diagnosis of COVID-19 and the prediction of its severity. Moreover, their enrichment in key pathophysiological pathways presented them as potential targets for therapeutic intervention.The results provide insight into the molecular dynamics of COVID-19 caused by cells such as NK cells and other monocytes. Thus, this study constitutes a solid basis for targeted diagnostic and therapeutic development and makes relevant contributions to ongoing research efforts toward better management and mitigation of the pandemic.

Keywords: SARS-COV-2, RNA-seq, biomarkers, severity, long COVID-19, bio analysis

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Authors: Gonzalo Ortiz de Elguea-Culebras, Raúl Sánchez-Vioquea, Adela Mena-Morales, Manuel Alaiz, Enrique Melero-Bravo, Esteban García-Romero, Javier Vioque, Lourdes Marchante-Cuevas, Julio Girón-Calle

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Saffron (Crocus sativus L.) is a highly valued crop for the manufacture of spice that consists of the dried stigma of the flowers. This is in contrast to other underutilized parts of the saffron plant as leaves, which represent abundant biomass whose use might help to enhance the sustainability of the saffron crop. Saffron leaves contain significant amounts of phenolic compounds, 7.8 equivalent grams of gallic acid per 100g of extract, and are very promising compounds in terms of exploring novel uses of saffron leaves. Given that phenolic compounds have numerous effects on cancer-related biological pathways, we have investigated the in vitro antiproliferative effect of saffron leaf polyphenols against human colon adenocarcinoma cells (Caco-2). Polyphenols were extracted from leaves with 70% ethanol, defatted with hexane, and purified by solid phase extraction using C18 silica gel and then silica gel 60. Analysis of polyphenols was performed by HPLC-ESI-MS. Di-, tri-, and tetrahexosides of quercetin, kaempferol, and isorhamnetin, as well as C-hexosides like isoorientin and vitexin, were tentatively identified. Polyphenols strongly inhibited the proliferation of Caco-2 cells, which is consistent with model studies in which several of the polyphenols identified in saffron leaves have demonstrated their potential as chemopreventive agents in cancer. Due to the low profitability that saffron leaf currently represents, we consider these results very encouraging and that this by-product deserves further investigation as a potential source of active molecules against colorectal cancer.

Keywords: saffron leaves, agricultural by-products, polyphenols, antiproliferative effect, human colon adenocarcinoma cells

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Authors: Olaniyi Awe, Adelana R. Adetunji, Abraham Adeleke

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Field observation revealed a lot of artisanal gold mining activities in Ilesa gold belt of southwestern Nigeria. The possibility of alluvial and lode gold deposits in commercial quantities around this location is very high, as there are many resident artisanal gold miners who have been mining and trading alluvial gold ore for decades and to date in the area. Their major process of solid gold recovery from its ore is by gravity concentration using the convectional panning method. This method is simple to learn and fast to recover gold from its alluvial ore, but its effectiveness is based on rules of thumb and the artisanal miners' experience in handling gold ore panning tool while processing the ore. Research samples from five alluvial gold ore tailings dumps were collected and studied. Samples were subjected to particle size analysis and mineralogical and elemental characterization using X-Ray Diffraction (XRD) and Particle-Induced X-ray Emission (PIXE) methods, respectively. The results showed that the tailings were of major quartz in association with albite, plagioclase, mica, gold, calcite and sulphide minerals. The elemental composition analysis revealed a 15ppm of gold concentration in particle size fraction of -90 microns in one of the tailings dumps investigated. These results are significant. It is recommended that heaps of panning tailings should be further reprocessed using other gold recovery methods such as shaking tables, flotation and controlled cyanidation that can efficiently recover fine gold particles that were previously lost into the gold panning tailings. The tailings site should also be well controlled and monitored so that these heavy minerals do not find their way into surrounding water streams and rivers, thereby causing health hazards.

Keywords: gold ore, panning, PIXE, tailings, XRD

Procedia PDF Downloads 90

Authors: C. Yaddaden, M. Berouaken, L. Talbi, K. Ayouz, M. Ayat, A. Cheriet, F. Boudeffar, A. Manseri, N. Gabouze

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Lithium-ion batteries (LIBs) are widely used in various electronic devices due to their high energy density. However, the performance of the anode material in LIBs is crucial for enhancing the battery's overall efficiency. This research focuses on developing a new anode material by modifying silicon nanostructures, specifically porous silicon nanowires (PSiNWs) and porous silicon nanoparticles (NPSiP), with silver nanoparticles (Ag) to improve the performance of LIBs. The aim of this research is to investigate the potential application of PSiNWs/Ag and NPSiP/Ag as anodes in LIBs and evaluate their performance in terms of specific capacity and Coulombic efficiency. The research methodology involves the preparation of PSiNWs and NPSiP using metal-assisted chemical etching and electrochemical etching techniques, respectively. The Ag nanoparticles are introduced onto the nanostructures through electrodissolution of the porous film and ultrasonic treatment. Galvanostatic charge/discharge measurements are conducted between 1 and 0.01 V to evaluate the specific capacity and Coulombic efficiency of both PSiNWs/Ag and NPSiP/Ag electrodes. The specific capacity of the PSiNWs/Ag electrode is approximately 1800 mA h g-1, with a Coulombic efficiency of 98.8% at the first charge/discharge cycle. On the other hand, the NPSiP/Ag electrode exhibits a specific capacity of 2600 mAh g-1. Both electrodes show a slight increase in capacity retention after 80 cycles, attributed to the high porosity and surface area of the nanostructures and the stabilization of the solid electrolyte interphase (SEI). This research highlights the potential of using modified silicon nanostructures as anodes for LIBs, which can pave the way for the development of more efficient lithium-ion batteries.

Keywords: porous silicon nanowires, silicon nanoparticles, lithium-ion batteries, galvanostatic charge/discharge

Procedia PDF Downloads 65

Authors: Isam A. H. Al Zubaidy

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A quick process may be needed to get the benefit the big generated quantity of waste oil sludge (WOS). The process includes the mixing process of WOS with commercial diesel fuel. Different ratios of WOS to diesel fuel were prepared ranging 1:1 to 20:1 by mass. The mixture was continuously mixing for 10 minutes using bench type overhead stirrer and followed by filtration process to separate the soil waste from filtrate oil product. The quantity and the physical properties of the oil filtrate were measured. It was found that the addition of up to 15% WOS to diesel fuel was accepted without dramatic changes to the properties of diesel fuel. The amount of waste oil sludge was decreased by about 60% by mass. This means that about 60 % of the mass of sludge was recovered as light fuel oil. The physical properties of the resulting fuel from 10% sludge mixing ratio showed that the specific gravity, ash content, carbon residue, asphaltene content, viscosity, diesel index, cetane number, and calorific value were affected slightly. The color was changed to light black color. The sulfur content was increased also. This requires other processes to reduce the sulfur content of the resulting light fuel. A new desulfurization process was achieved using adsorption techniques with activated biomaterial to reduce the sulfur content to acceptable limits. Adsorption process by ZnCl₂ activated date palm kernel powder was effective for improvement of the physical properties of diesel like fuel. The final sulfur content was increased to 0.185 wt%. This diesel like fuel can be used in all tractors, buses, tracks inside and outside the refineries. The solid remaining seems to be smooth and can be mixed with asphalt mixture for asphalting the roads or can be used with other materials as an asphalt coating material for constructed buildings. Through this process, valuable fuel has been recovered, and the amount of waste material had decreased.

Keywords: oil sludge, diesel fuel, blending process, filtration process

Procedia PDF Downloads 118

Authors: Jerzy Merkisz, Pawel Fuc, Piotr Lijewski, Andrzej Ziolkowski, Pawel Czarkowski

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The paper presents preliminary results of the development of an automotive exhaust gas energy recovery module. The aim of the performed analyses was to select the geometry of the heat exchanger that would ensure the highest possible transfer of heat at minimum heat flow losses. The starting point for the analyses was a straight portion of a pipe, from which the exhaust system of the tested vehicle was made. The design of the heat exchanger had a cylindrical cross-section, was 300 mm long and was fitted with a diffuser and a confusor. The model works were performed for the mentioned geometry utilizing the finite volume method based on the Ansys CFX v12.1 and v14 software. This method consisted in dividing of the system into small control volumes for which the exhaust gas velocity and pressure calculations were performed using the Navier-Stockes equations. The heat exchange in the system was modeled based on the enthalpy balance. The temperature growth resulting from the acting viscosity was not taken into account. The heat transfer on the fluid/solid boundary in the wall layer with the turbulent flow was done based on an arbitrarily adopted dimensionless temperature. The boundary conditions adopted in the analyses included the convective condition of heat transfer on the outer surface of the heat exchanger and the mass flow and temperature of the exhaust gas at the inlet. The mass flow and temperature of the exhaust gas were assumed based on the measurements performed in actual traffic using portable PEMS analyzers. The research object was a passenger vehicle fitted with a 1.9 dm3 85 kW diesel engine. The tests were performed in city traffic conditions.

Keywords: waste heat recovery, heat exchanger, CFD simulation, pems

Procedia PDF Downloads 574

Authors: Audrey Smith, M. Saifur Rahaman

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The waste crisis has become a global issue, forcing many industries to reconsider their disposal methods and environmental practices. Sludge is a form of waste created in many fields, which include water and wastewater, pulp and paper, as well as from breweries. The composition of this sludge differs between sources and can, therefore, have varying disposal methods or future applications. When looking at the brewery industry, it produces a significant amount of sludge with a high water content. In order to avoid landfilling, this waste can further be processed into a valuable material. Specifically, the sludge must undergo dewatering, a process which typically involves the addition of coagulants like aluminum sulfate or ferric chloride. These chemicals, however, limit the potential uses of the sludge since it will contain traces of metals. In this case, the desired outcome of the brewery sludge would be to produce animal feed; however, these conventional coagulants would add a toxic component to the sludge. The use of biopolymers like chitosan, which act as a coagulant, can be used to dewater brewery sludge while allowing it to be safe for animal consumption. Chitosan is also a by-product created by the shellfish processing industry and therefore reduces the environmental imprint since it involves using the waste from one industry to treat the waste from another. In order to prove the effectiveness of this biopolymer, experiments using jar-tests will be utilised to determine the optimal dosages and conditions, while variances of contaminants like ammonium will also be observed. The efficiency of chitosan can also be compared to other polysaccharides to determine which is best suited for this waste. Overall a significant separation has been achieved between the solid and liquid content of the waste during the coagulation-flocculation process when applying chitosan. This biopolymer can, therefore, be used to dewater brewery sludge such that it can be repurposed as animal feed. The use of biopolymers can also be applied to treat sludge from other industries, which can reduce the amount of waste produced and allow for more diverse options for reuse.

Keywords: animal feed, biopolymer, brewery sludge, chitosan

Procedia PDF Downloads 160

Authors: Prangvalai Buasan, Boonrod Sajjakulnukit, Thongchart Bowonthumrongchai

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The demand for biomass pellets in the industrial sector has significantly increased since 2020. The revised version of Thailand’s power development plan as well as the Alternative Energy Development Plan, aims to promote biomass fuel consumption by around 485 MW by 2030. The replacement of solid fossil fuel with biomass pellets will affect medium-term and long-term national benefits for all industries throughout the supply chain. Therefore, the evaluation of environmental and economic impacts throughout the biomass pellet supply chain needs to be performed to provide better insight into the goods and financial flow of this activity. This study extended the national input-output table for the biomass pellet industry and applied the input-output analysis (IOA) method, a sort of macroeconomic analysis, to interpret the result of transactions between industries in the monetary unit when the revised national power development plan was adopted and enforced. Greenhouse gas emissions from consuming energy and raw material through the supply chain are also evaluated. The total intermediate transactions of all economic sectors, which included the biomass pellets sector (CASE 2), increased by 0.02% when compared with the conservative case (CASE 1). The control total, which is the sum of total intermediate transactions and value-added, the control total of CASE 2 is increased by 0.07% when compared with CASE 1. The pellet production process emitted 432.26 MtCO2e per year. The major sharing of the GHG is from the plantation process of raw biomass.

Keywords: input-output analysis, environmental extended input-output analysis, macroeconomic planning, biomass pellets, renewable energy

Procedia PDF Downloads 102

Authors: Gafar Bamigbade, Adebunkola Omemu

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“Ogi” is a fermented cereal gruel prepared from maize (Zea mays), millet (Pennisetum typhoideum) or guinea corn (Sorghum bicolour). It could be boiled to give a thicker consistency wrapped in leaf allowed to cool and set to a gel known as “eko”. The objective of this study is to determine the amylase activities of mould associated with the spoilage of Ogi and eko. Moulds were isolated from spoilt Ogi and eko samples using standard microbiological procedures. The isolate was then screened for amylase production using starch agar medium. Positive isolates were used for amylase production by solid state fermentation (SFF) using rice bran as the medium. An alpha-amylase and glucoamylase activity of the crude enzyme was determined using the DNS method. The mean mold Population ranged from 1.15 X 105cfu/g for raw Ogi to 6.25 X 105cfu/g for Eko (wrapped in Leaves). Twenty-seven (27) moulds isolated from the sample include A. niger, A. flavus, A. fumigatus, Rhizopus species and Penicillium species. Aspergillus flavus had the highest percentage (51.9%) of incidence while Penicillium species had the least (3.7%). Out of the 27 isolates screened, 19 were found to be amylase positive by showing a clear zone around their colony after flooding with iodine solution. Diameter of clear zone ranged from 3.00mm (Aspergillus niger, C4) to 22.00mm (Aspergillus flavus, A1). Aspergillus niger isolated from spoilt Eko wrapped in leaf has the highest percentage alpha-amylase activity (30.8%) and Aspergillus flavus isolated from spoilt raw ogi has the lowest activity (11.4%). Aspergillus niger isolated from spoilt Eko wrapped in nylon produces the highest glucoamylase activity (240U/ml) while penicillium specie isolated from spoilt cooked ogi has the lowest activity (100U/ml). This study shows that moulds associated with spoilage of ogi and eko can produce amylase.

Keywords: glucoamylase, alpha amylase, ogi, eko

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Authors: Mohd Salim Mahtab, Izharul Haq Farooqi, Anwar Khursheed

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Advanced oxidation processes (AOPs) based on Fenton are versatile options for treating complex wastewaters containing refractory compounds. However, the classical Fenton process (CFP) has limitations, such as high sludge production and reagent dosage, which limit its broad use and result in secondary contamination. As a result, long-term solutions are required for process intensification and the removal of these impediments. This study shows that Fenton sludge could serve as a catalyst in the Fe³⁺/Fe²⁺ reductive pathway, allowing non-regenerated sludge to be reused for complex wastewater treatment, such as landfill leachate treatment, even in the absence of Fenton's reagents. Experiments with and without pH adjustments in stages I and II demonstrated that an acidic pH is desirable. Humic compounds in leachate could improve the cycle of Fe³⁺/Fe²⁺ under optimal conditions, and the chemical oxygen demand (COD) removal efficiency was 22±2% and 62±2%% in stages I and II, respectively. Furthermore, excellent total suspended solids (TSS) removal (> 95%) and color removal (> 80%) were obtained in stage II. The processes underlying synergistic (oxidation/coagulation/adsorption) effects were addressed. The design of the experiment (DOE) is growing increasingly popular and has thus been implemented in the chemical, water, and environmental domains. The relevance of the statistical model for the desired response was validated using the explicitly stated optimal conditions. The operational factors, characteristics of reused sludge, toxicity analysis, cost calculation, and future research objectives were also discussed. Reusing non-regenerated Fenton sludge, according to the study's findings, can minimize hazardous solid toxic emissions and total treatment costs.

Keywords: advanced oxidation processes, catalysis, Fe³⁺/Fe²⁺ cycle, fenton sludge

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Authors: Chutamas Thepmalee, Aussara Panya, Mutita Junking, Jatuporn Sujjitjoon, Nunghathai Sawasdee, Pa-Thai Yenchitsomanus

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Cholangiocarcinoma (CCA) is an aggressive malignancy of bile duct epithelial cells in which the standard treatments, including surgery, radiotherapy, chemotherapy, and targeted therapy are partially effective. Many solid tumors including CCA escape host immune responses by creating tumor microenvironment and generating immunosuppressive cytokines such as interleukin-10 (IL-10) and transforming growth factor-β (TGF-β). These cytokines can inhibit dendritic cell (DC) differentiation and function, leading to decreased activation and response of effector CD4+ and CD8+ T cells for cancer cell elimination. To overcome the effects of these immunosuppressive cytokines and to increase ability of DC to activate effector CD4+ and CD8+ T cells, we generated self-differentiated DCs (SD-DCs) with down-regulation of IL-10 and TGF-β receptors for activation of effector CD4+ and CD8+ T cells. Human peripheral blood monocytes were initially transduced with lentiviral particles containing the genes encoding GM-CSF and IL-4 and then secondly transduced with lentiviral particles containing short-hairpin RNAs (shRNAs) to knock-down mRNAs of IL-10 and TGF-β receptors. The generated SD-DCs showed up-regulation of MHC class II (HLA-DR) and co-stimulatory molecules (CD40 and CD86), comparable to those of DCs generated by convention method. Suppression of IL-10 and TGF-β receptors on SD-DCs by specific shRNAs significantly increased levels of IFN-γ and also increased cytolytic activity of DC-activated effector T cells against CCA cell lines (KKU-213 and KKU-100), but it had little effect to immortalized cholangiocytes (MMNK-1). Thus, SD-DCs with down-regulation of IL-10 and TGF-β receptors increased activation of effector T cells, which is a recommended method to improve DC function for the preparation of DC-activated effector T cells for adoptive T-cell therapy.

Keywords: cholangiocarcinoma, IL-10 receptor, self-differentiated dendritic cells, TGF-β receptor

Procedia PDF Downloads 142

Authors: R. Al-Dujele, K. A. Cashell

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A tubular flange girder is an I-shaped steel girder with either one of both of the usual flat flange plates replaced with a hollow section. Typically, these hollow sections are either rectangular or circular in shape. Concrete filled tubular flange girders (CFTFGs) are unconventional I-shaped beams that use a hollow structural section as the top flange which is filled with concrete. The resulting section offers very high lateral torsional buckling strength and stiffness compared with conventional steel I-beams of similar depth, width and weight, typically leading to a reduction in lateral bracing requirements. This paper is focussed on investigating the ultimate capacity of concrete filled rectangular tubular flange girders (CFRTFGs). These are complex members and their behaviour is governed by a number of inter-related parameters. The FE model is developed using ABAQUS software, 3-D finite element (FE) model for simply supported CFRTFGs subjected to two point loads applied at the third-span points is built. An initial geometrical imperfection of (L/1000), as well as geometrical and material nonlinearities, are introduced into the model, where L denotes the span of the girder. In this numerical model, the concrete and steel materials are modelled using eight-node solid and four-node shell elements, respectively. In addition to the FE model, simplified analytical expressions for the flexural capacity are also proposed, and the results are compared to those from the FE analyses. The analytical expressions, which are suitable for design, are also shown to be capable of providing an accurate depiction of the bending moment capacity.

Keywords: concrete-filled rectangular tubular flange girders, ultimate capacity, confining effect, finite element analysis

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Authors: Alexander Mikkelsen, Khobaib Khobaib, Zbigniew Rozynek

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Drops covered by particles have found important uses in various fields, ranging from stabilization of emulsions to production of new advanced materials. Particles at drop interfaces can be interlocked to form solid capsules with properties tailored for a myriad of applications. Despite the huge potential of particle-laden drops and capsules, the knowledge of their deformation and stability are limited. In this regard, we contribute with experimental studies on the deformation and manipulation of silicone oil drops covered with micrometer-sized particles subjected to electric fields. A mixture of silicone oil and particles were immersed in castor oil using a mechanical pipette, forming millimeter sized drops. The particles moved and adsorbed at the drop interfaces by sedimentation, and were structured at the interface by electric field-induced electrohydrodynamic flows. When applying a direct current electric field, free charges accumulated at the drop interfaces, yielding electric stress that deformed the drops. In our experiments, we investigated how particle properties affected drop deformation, break-up, and particle structuring. We found that by increasing the size of weakly-conductive clay particles, the drop shape can go from compressed to stretched out in the direction of the electric field. Increasing the particle size and electrical properties were also found to weaken electrohydrodynamic flows, induce break-up of drops at weaker electric field strengths and structure particles in chains. These particle parameters determine the dipolar force between the interfacial particles, which can yield particle chaining. We conclude that the balance between particle chaining and electrohydrodynamic flows governs the observed drop mechanics.

Keywords: drop deformation, electric field induced stress, electrohydrodynamic flows, particle structuring at drop interfaces

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Authors: Abdalrahman D. Alsulaili, Sheikha Y. Aljeraiwi, Athba N. Almanaie, Raghad Y. Alhajeri, Mariam Z. Almijren

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The water accompanying oil in the oil production process is increasing and due to its increasing rates a problem with handling it occurred. Current solutions like discharging into the environment, dumping water in evaporation pits, usage in the industry and reinjection in oil reservoirs to enhance oil production are used worldwide. The water injection method has been introduced to the oil industry with a process that either immediately injects water to the reservoir or goes to the filtration process before injection all depending on the porosity of the soil. Reinjection of unfiltered effluent water with high Total Suspended Solid (TSS) and Oil in Water (O/W) into soils with low porosity cause a blockage of pores, whereas soils with high porosity do not need high water quality. Our study mainly talks about the filtration and adsorption of the water using organic media as the adsorbent. An adsorbent is a substance that has the ability to physically hold another substance in its surface. Studies were done on nutshell and date pits with different surface areas and flow rates by using a 10inch filter connected with three tanks to perform as one system for the filtration process. Our approach in the filtration process using different types of medias went as follow: starting first with crushed nutshell, second with ground nutshell, and third using carbonized date pits with medium flow rate then high flow rate to compare different results. The result came out nearly as expected from our study where both O/W and TSS were reduced from our oily water sample by using this organic material. The effect of specific area was noticed when using nutshell as the filter media, where the crushed nutshell gave us better results than ground nutshell. The effect of flow rate was noticed when using carbonized date pits as the filter media whereas the treated water became more acceptable when the flow rate was on the medium level.

Keywords: date pits, nutshell, oil water, TSS

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Authors: Adjmal Ghaur, Christoph Peschel, Iris Dienwiebel, Lukas Haneke, Leilei Du , Laurin Profanter, Tobias Placke, Martin Winter

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In recent years, lithium-ion batteries (LIBs)are widely used in electric vehicles (EVs) and mobile energy storage devices (ESDs), which has led to higher requirements for energy density. To fulfill these requirements, tremendous attention has been paid to design advanced LIBs with various siliconactive materials as alternative negative electrodes to replace graphite (372 mAh g⁻¹)due to their high theoretical gravimetric capacity (4200mAh g⁻¹). However, silicon as potential anode material suffers from huge volume changes during charging and discharging and has poor electronicconductivity which negatively impacts the long-term performance and preventshigh silicon contents from practical application. Additionally, an unstable crystalline silicon structure tends to pulverization during the (de)lithiation process. To compensate for the volume changes, alleviate pulverization, and maintain high electronicconductivity, silicon-doped graphite composites with protecting coating layers are a promising approach. In this context, phosphazene compounds are investigated concerning their silicon protecting properties in silicon-doped graphite composites. In detail, electrochemical performance measurements in pouch full-cells(NCM523||SiOx/C), supressing gas formation properties, and post-mortem analyzes were carried out to characterize phosphazene compounds as additive materials. The introduction of the dual-additive approach in state-of-the-art electrolytes leads to synergistic effects between FEC and phosphazene compounds which accelerate the durability of silicon particles and results in enhanced electrochemical performance.

Keywords: silicon, phosphazene, solid electrolyte interphase, electrolyte, gasmeasurements

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Authors: Ogbuagu Josephat Okechukwu, Okeke Abuchi Princewill, Arinze Rosemary Uche, Tabugbo Ifeyinwa Blessing, Ogbuagu Adaora Stellamaris

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Phthalates or Phthalate esters (PAEs), categorized as an endocrine disruptor and persistent organic pollutants, are known for their environmental contamination and toxicological effects. In this study, the concentration of selected phthalates was determined across the sampling site to investigate their occurrence and the ecological and health risk assessment they pose to the environment. Water and sediment samples were collected following standard procedures. Solid phase and ultrasonic methods were used to extract seven different PAEs, which were analyzed by Gas Chromatography with Mass Detector (GCMS). The analytical average recovery was found to be within the range of 83.4% ± 2.3%. The results showed that PAEs were detected in six out of seven samples with a high percentage of detection rate in water. Di-n-butyl phthalate (DPB) and disobutyl phthalates (DiBP) showed a greater detection rate compared to other PAE monomers. The concentration of PEs was found to be higher in sediment samples compared to water samples due to the fact that sediments serve as a sink for most persistent organic pollutants. The concentrations of PAEs in water samples and sediments ranged from 0.00 to 0.23 mg/kg and 0.00 to 0.028 mg/l, respectively. Ecological risk assessment using the risk quotient method (RQ) reveals that the estimated environmental risk caused by phthalates lies within the moderate level as RQ ranges from 0.1 to 1.0, whereas the health risk assessment caused by phthalates on estimating the average daily dose reveals that the ingestion of phthalates was found to be approaching permissible limit which can cause serious carcinogenic occurrence in the human system with time due to excess accumulation.

Keywords: phthalates, endocrine disruptor, risk assessment, ecological risk, health risk

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Authors: Ali Assoudi, Sabra Habli, Nejla Mahjoub Saïd, Philippe Bournot, Georges Le Palec

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Studying the flow characteristics of a turbulent offset jet is an important topic among researchers across the world because of its various engineering applications. Some of the common examples include: injection and carburetor systems, entrainment and mixing process in gas turbine and boiler combustion chambers, Thrust-augmenting ejectors for V/STOL aircrafts and HVAC systems, environmental dischargers, film cooling and many others. An offset jet is formed when a jet discharges into a medium above a horizontal solid wall parallel to the axis of the jet exit but which is offset by a certain distance. The structure of a turbulent offset-jet can be described by three main regions. Close to the nozzle exit, an offset jet possesses characteristic features similar to those of free jets. Then, the entrainment of fluid between the jet, the offset wall and the bottom wall creates a low pressure zone, forcing the jet to deflect towards the wall and eventually attaches to it at the impingement point. This is referred to as the Coanda effect. Further downstream after the reattachment point, the offset jet has the characteristics of a wall jet flow. Therefore, the offset jet has characteristics of free, impingement and wall jets, and it is relatively more complex compared to these types of flows. The present study examines the dynamic and thermal evolution of a 3D turbulent offset jet with different offset height ratio (the ratio of the distance from the jet exit to the impingement bottom wall and the jet nozzle diameter). To achieve this purpose a numerical study was conducted to investigate a three-dimensional offset jet flow through the resolution of the different governing Navier–Stokes’ equations by means of the finite volume method and the RSM second-order turbulent closure model. A detailed discussion has been provided on the flow and thermal characteristics in the form of streamlines, mean velocity vector, pressure field and Reynolds stresses.

Keywords: offset jet, offset ratio, numerical simulation, RSM

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Authors: Sylwia Gieraltowska, Lukasz Wachnicki, Bartlomiej S. Witkowski, Marek Godlewski

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Oxide layers doped with rare-earth (RE) ions in optimized way can absorb short (ultraviolet light), which will be converted to visible light by so-called down-conversion. Down-conversion mechanisms are usually exploited to modify the incident solar spectrum. In down conversion, multiple low-energy photons are generated to exploit the energy of one incident high-energy photon. These RE-doped oxide materials have attracted a great deal of attention from researchers because of their potential for optical manipulation in optical devices (detectors, temperature sensors, and compact solid-state lasers, light-emitting diodes), bio-analysis, medical therapy, display technologies, and light harvesting (such as in photovoltaic cells). The zirconium dioxide (ZrO2) doped RE ions (Eu, Tb, Ce) multilayer structures were tested as active layers, which can convert short wave emission to light in the visible range (the down-conversion mechanism). For these applications original approach of deposition ZrO2 layers using the Atomic Layer Deposition (ALD) method and doping these layers with RE ions using the spin-coating technique was used. ALD films are deposited at relatively low temperature (well below 250°C). This can be an effective method to achieve the white-light emission and to improve on this way light conversion efficiency, by an extension of absorbed spectral range by a solar cell material. Photoluminescence (PL), X-ray diffraction (XRD), scanning electron microscope (SEM) and atomic force microscope (AFM) measurement are analyzed. The research was financially supported by the National Science Centre (decision No. DEC-2012/06/A/ST7/00398 and DEC- 2013/09/N/ST5/00901).

Keywords: ALD, oxide layers, photovoltaics, thin films

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Authors: Nneka Augustina Akwu, Yougasphree Naidoo

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Molecular advancement in technology has created a means whereby the atoms and molecules (solid forms) of certain materials such as plants, can now be reduced to a range of 1-100 nanometres. Green synthesis of silver nanoparticles (AgNPs) was carried out at room temperature (RT) 25 ± 2°C and 80°C, using the metabolites in the aqueous extracts of the leaves and stem bark of Grewia lasiocarpa as reductants and stabilizing agents. The biosynthesized AgNPs were characterized by UV-Vis spectrophotometry, attenuated total reflectance - Fourier transforms infrared (ATR-FTIR) spectroscopy, nanoparticle tracking analysis (NTA), Energy Dispersive X-ray fluorescence scanning electron microscope (SEM-EDXRF) and high-resolution transmission electron microscopy (HRTEM). The AgNPs were biologically evaluated for antioxidant, antibacterial and cytotoxicity activities. The phytochemical and FTIR analyses revealed the presence of metabolites that act as reducing and capping agents, while the UV-Vis spectroscopy of the biosynthesized NPs showed absorption between 380-460 nm, confirming AgNP synthesis. The Zeta potential values were between -9.1 and -20.6 mV with a hydrodynamics diameter ranging from 38.3 to 46.7 nm. SEM and HRTEM analyses revealed that AgNPs were predominately spherical with an average particle size of 2- 31 nm for the leaves and 5-27 nm for the stem bark. The cytotoxicity IC50 values of the AgNPs against HeLa, Caco-2 and MCF-7 were >1 mg/mL. The AgNPs were sensitive to all strains of bacteria used, with methicillin-resistant Staphylococcus aureus (MRSA), Staphylococcus aureus (ATCC 25923) and Escherichia coli (ATCC 25922) being more sensitive to the AgNPs. Our findings propose that antibacterial and anticancer agents could be derived from these AgNPs of G. lasiocarpa, and warrant their further investigation.

Keywords: antioxidant, cytotoxicity, Grewia lasiocarpa, silver nanoparticles, Zeta potentials

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Authors: Shagufta Riaz, Ayesha Younus, Munir Ashraf, Tanveer Hussain

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Aesthetic and performance are two most important considerations along with quality, durability, comfort and cost that affect the garment credibility. Fabric drape is perhaps the most important clothing characteristics that distinguishes fabric from the sheet, paper, steel or other film materials. It enables the fabric to mold itself under its own weight into desired and required shape when only part of it is directly sustained. The fabric has the ability to be crumpled charmingly in bent folds of single or double curvature due to its drapeability to produce a smooth flowing i.e. ‘the sinusoidal-type folds of a curtain or skirt’. Drape and seam strength are two parameters that are considered for aesthetic and performance of fabric for both apparel and home textiles. Until recently, no such study have been conducted in which effect of weave designs on drape and seam strength of fabric and garment is inspected. Therefore, the aim of this study was to measure seam strength and drape of fabric and garment objectively by changing weave designs and quality of the fabric. Also, the comparison of 2-D drape and 3-D drape was done to find whether a fabric behaves in same manner or differently when sewn and worn on the body. Four different cotton weave designs were developed and pr-treatment was done. 2-D Drape of the fabric was measured by drapemeter attached with digital camera and a supporting disc to hang the specimen on it. Drape coefficient value (DC %) has negative relation with drape. It is the ratio of draped sample’s projected shadow area to the area of undraped (flat) sample expressed as percentage. Similarly, 3-D drape was measured by hanging the A-line skirts for developed weave designs. BS 3356 standard test method was followed for bending length examination. It is related to the angle that the fabric makes with its horizontal axis. Seam strength was determined by following ASTM test standard. For sewn fabric, stitch density of seam was found by magnifying glass according to standard ASTM test method. In this research study, from the experimentation and evaluation it was investigated that drape and seam strength were significantly affected by change of weave design and quality of fabric (PPI & yarn count). Drapeability increased as the number of interlacement or contact point deceased between warp and weft yarns. As the weight of fabric, bending length, and density of fabric had indirect relationship with drapeability. We had concluded that 2-D drape was higher than 3-D drape even though the garment was made of the same fabric construction. Seam breakage strength decreased with decrease in picks density and yarn count.

Keywords: drape coefficient, fabric, seam strength, weave

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Authors: Samane Maroufi, Rasoul Khayyam Nekouei, Sajjad Sefimofarah, Veena Sahajwalla

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The present work details a three-stage strategy based on selective purification of rare earth oxide (REOs) isolated from end-of-life nickel-metal hydride (Ni-MH) batteries leading to high-yield fabrication of defect-rich Mn1-x-y(CeₓLaᵧ)O2-δ film. In step one, major impurities (Fe and Al) were removed from a REE-rich solution. In step two, the resulting solution with trace content of Mn was further purified through electrodeposition which resulted in the synthesis of a non-stoichiometric Mn₋₁₋ₓ₋ᵧ(CeₓLaₓᵧ)O2-δ ultra-thin film, with controllable thicknesses (5-650 nm) and transmittance (~29-100%)in which Ce4+/3+ and La3+ ions were dissolved in MnO2-x lattice. Due to percolation impacts on the optoelectronic properties of ultrathin films, a representative Mn1-x-y(CexLay)O2-δ film with 86% transmittance exhibited an outstanding areal capacitance of 3.4 mF•cm-2, mainly attributed to the intercalation/de-intercalation of anionic O2- charge carriers through the atomic tunnels of the stratified Mn1-x-y(CexLay)O2-δ crystallites. Furthermore, the Mn1-x-y(CexLay)O2-δ exhibited excellent capacitance retention of ~90% after 16,000 cycles. Such stability was shown to be associated with intervalence charge transfers occurring among interstitial Ce/La cations and Mn oxidation states within the Mn₋₁₋ₓ₋ᵧ(CexLay)O2-δ structure. The energy and power densities of the transparent flexible Mn₋₁₋ₓ₋ᵧ(CexLay)O2-δ full-cell pseudocapacitor device with a solid-state electrolyte was measured to be 0.088 µWh.cm-2 and 843 µW.cm-2, respectively. These values showed insignificant changes under vigorous twisting and bending to 45-180˚, confirming these materials are intriguing alternatives for size-sensitive energy storage devices. In step three, the remaining solution purified further, that led to the formation of REOs (La, Ce, and Nd) nanospheres with ~40-50 nm diameter.

Keywords: spent Ni-MH batteries, green energy, flexible pseudocapacitor, rare earth elements

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Authors: Abigaba Sophia

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Artificial intelligence (AI) has transformed the education sector by revolutionizing educational frameworks by providing new opportunities and innovative advanced platforms for language translation during the teaching and learning process. In today's education sector, the primary key to scholarly communication is language; therefore, translation between different languages becomes vital in the process of communication. KIU-T being an International University, admits students from different nations speaking different languages, and English is the official language; some students find it hard to grasp a word during teaching and learning. This paper explores the practical aspect of using artificial intelligence technologies in an advanced language translation manner during teaching and learning. The impact of this technology is reflected in the education strategies to equip students with the necessary knowledge and skills for professional activity in the best way they understand. The researcher evaluated the demand for this practice since students have to apply the knowledge they acquire in their native language to their countries in the best way they understand. The main objective is to improve student's language competence and lay a solid foundation for their future professional development. A descriptive-analytic approach was deemed best for the study to investigate the phenomena of language translation intelligence alongside Microsoft Office during the teaching and learning process. The study analysed the responses of 345 students from different academic programs. Based on the findings, the researcher recommends using the artificial intelligence language translation technique during teaching, and this requires the wisdom of human content designers and educational experts. Lecturers and students will be trained in the basic knowledge of this technique to improve the effectiveness of teaching and learning to meet the student’s needs.

Keywords: artificial intelligence, language translation technique, teaching and learning process, Microsoft Office

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Authors: Mao-Sheng Su, Santhanamoorthi Nachimuthu, Jyh-Chiang Jiang

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Climate change is widely recognized as a global crisis, with anthropogenic CO₂ emissions from fossil fuel combustion and industrial processes being major contributors. To address this challenge, carbon capture and sequestration (CCS) technology has emerged as a key strategy for selectively capturing CO₂ from flue gas streams. Among the various solid adsorbents, metal–organic frameworks (MOFs) are notable for their extensive surface area and controllable pore chemistry. The porous MOF structure is comprised of metal ions or clusters coordinated to organic linker compounds. In particular, the pore parameters of MOFs are readily tunable, making them promising materials for CO₂ capture applications. Among these, amine-functionalized MOFs have demonstrated exceptional CO₂ capture abilities because their high uptake capacity and selectivity. In this study, we have investigated the CO₂ capture abilities and adsorption mechanisms of the diamine-appended framework N-Ethylethylenediamine-Mg₂(4,4’-dioxidobiphenyl-3,3’-dicarboxylate) (e-2-Mg₂(dobpdc)) using density functional theory (DFT) calculations. Previous studies have suggested that CO₂ can be captured via both outer- and inner-amine binding sites. Our findings reveal that CO₂ adsorption at the outer amine site is kinetically more favorable compared to the inner amine site, with a lower energy barrier of 1.34 eV for CO₂ physisorption to chemisorption compared to the inner amine, which has an activation barrier of 1.60 eV. Furthermore, we find that CO₂ adsorption is significantly enhanced in an alkaline environment, as deprotonation of the diamine molecule reduces the energy barrier to 0.24 eV. This theoretical study provides detailed insights into CO₂ adsorption in diamine-appended e-2-Mg₂(dobpdc) MOF, offering a deeper understanding of CO₂ capture mechanisms and valuable information for the advancement of effective CO₂ sequestration technologies.

Keywords: DFT, MOFs, CO₂ capture, catalyst

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