Search results for: 3D transition metal complex

Authors: Jafar Razmi

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Integral abutment bridges are bridges that do not have joints. If these bridges are subject to large seasonal and daily temperature variations, the expansion and contraction of the bridge slab is transferred to the piles. Since the piles are deep into the soil, displacement induced by slab can cause bending and stresses in piles. These stresses cause fatigue and failure of piles. A complex mechanical interaction exists between the slab, pile, soil and abutment. This complex interaction needs to be understood in order to calculate the stresses in piles. This paper uses a mechanical approach in developing analytical equations for the complex structure to determine the stresses in piles. The solution to these analytical solutions is developed and compared with finite element analysis results and experimental data. Our comparison shows that using analytical approach can accurately predict the displacement in piles. This approach offers a simplified technique that can be utilized without the need for computationally extensive finite element model.

Keywords: integral abutment bridges, piles, thermo-mechanical stress, stress and strains

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Authors: Anushree, Chhaya Sharma, Satish Kumar

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Catalytic wet air oxidation (CWAO) is normally carried out at elevated temperature and pressure. This work investigates the potential of NiO-CeO₂ nano-catalyst in CWAO of paper industry wastewater under milder operating conditions of 90 °C and 1 atm. The NiO-CeO₂ nano-catalysts were synthesized by a simple co-precipitation method and characterized by X-ray diffraction (XRD), before and after use, in order to study any crystallographic change during experiment. The extent of metal-leaching from the catalyst was determined using the inductively coupled plasma optical emission spectrometry (ICP-OES). The catalytic activity of nano-catalysts was studied in terms of total organic carbon (TOC), adsorbable organic halides (AOX) and chlorophenolics (CHPs) removal. Interestingly, mixed oxide catalysts exhibited higher activity than the corresponding single-metal oxides. The maximum removal efficiency was achieved with Ce₄₀Ni₆₀ catalyst. The results indicate that the CWAO process is efficient in removing the priority organic pollutants from wastewater, as it exhibited up to 59% TOC, 55% AOX, and 54 % CHPs removal.

Keywords: catalysis, nano-materials, NiO-CeO2, paper mill, wastewater, wet air oxidation

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Authors: J. Belovickis, V. Samulionis, J. Banys, M. V. Silibin, A. V. Solnyshkin, A. V. Sysa

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Ferroelectric polymers exhibit good flexibility, processability and low cost of production. Doping of ferroelectric polymers with nanofillers may modify its dielectric, elastic or piezoelectric properties. Carbon nanotubes are one of the ingredients that can improve the mechanical properties of polymer based composites. In this work, we report on both the ultrasonic and the dielectric properties of the copolymer polyvinylidene fluoride/tetrafluoroethylene (P(VDF-TrFE)) of the composition 70/30 mol% with various concentrations of carbon nanotubes (CNT). Experimental study of ultrasonic wave attenuation and velocity in these composites has been performed over wide temperature range (100 K – 410 K) using an ultrasonic automatic pulse-echo tecnique. The temperature dependences of ultrasonic velocity and attenuation showed anomalies attributed to the glass transition and paraelectric-ferroelectric phase transition. Our investigations showed mechanical losses to be dependent on the volume fraction of the CNTs within the composites. The existence of broad hysteresis of the ultrasonic wave attenuation and velocity within the nanocomposites is presented between cooling and heating cycles. By the means of dielectric spectroscopy, it is shown that the dielectric properties may be tuned by varying the volume fraction of the CNT fillers.

Keywords: carbon nanotubes, polymer composites, PVDF-TrFE, ultrasonic spectroscopy

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Authors: Gerardette Darkwah, Gloria Ankar Brewoo, John Barimah, Gilbert Owiah Sampson, Vincent Abe-Inge

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Soft drinks which are widely consumed in Ghana have been reported in other countries to contain toxic heavy metals beyond the acceptable limits in other countries. Therefore, the objective of this study was to assess the quality characteristics of selected locally produced and marketed soft drinks. Three (3) different batches of 23 soft drinks were sampled from the Takoradi markets. The samples were prescreened for the presence of reducing sugars, phosphates, alcohol and carbon dioxide. The heavy metal contents and physicochemical properties were also determined with AOAC methods. The results indicated the presence of reducing sugars, carbon dioxide and the absence of alcohol in all the selected soft drink samples. The pH, total sugars, moisture, total soluble solids (TSS) and titratable acidity ranged from 2.42 – 3.44, 3.30 – 10.44%, 85.63 – 94.85%, 5.00 – 13.33°Brix, and 0.21 – 1.99% respectively. The concentration of heavy metals were also below detection limits in all samples. The quality of the selected were within specifications prescribed by regulatory bodies.

Keywords: heavy metal contamination, locally manufactured, quality, soft drinks

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Authors: Ateeq Ur Rehman

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This article deals with the promotional effects of CeO2 on PtPd/CeO2-OMC electrocatalysts. The synthesized catalysts are characterized using different physicochemical techniques and evaluated in a formic acid oxidation fuel cell. N2 adsorption/desorption analysis shows that CeO2 modification increases the surface area of OMC from 1005 m2/g to 1119 m2/g. SEM, XRD and TEM analysis reveal that the presence of CeO2 enhances the active metal(s) dispersion on the CeO2-OMC surface. The average particle size of the dispersed metal decreases with the increase of Pt/Pd ratio on CeO2-OMC support. Cyclic voltametry measurement of Pd/CeO2-OMC gives 12 % higher anodic current activity with 83 mV negative shift of the peak potential as compared to unmodified Pd/OMC. In bimetallic catalysts, the addition of Pt improves the activity and stability of the catalysts significantly. Among the bimetallic samples, Pd3Pt1/CeO2-OMC displays superior current density (74.6 mA/cm2), which is 28.3 times higher than that of Pt/CeO2-OMC. It also shows higher stability in extended period of runs with least indication of CO poisoning effects.

Keywords: CeO2, ordered mesoporous carbon (OMC), nano particles, formic acid fuel cell

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Authors: Nick Farid, Roghoyeh Salmeh

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The planning and operation of the power grid is becoming much more complex because of the introduction of renewable energy resources, the digitalization of the electricity industry, as well as the coupling of efficiency and greener energy trends. These changes, along with new trends, make interactions between grid users and the other stakeholders more complex. This paper focuses on the main “physical” and “logical” interactions between grid users and the grid stakeholders, both from power system equipment and information management standpoints, and proposes a new interoperability model for Smart Grids.

Keywords: user interface, interoperability layers, grid architecture framework, smart grid

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Authors: L. Al-Mulla, B. M. Thomas, N. R. Bhat, M. K. Suleiman, P. George

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Mangroves are halophytic shrubs habituated in the intertidal zones in the tropics and subtropics, forming a complex and highly dynamic coastal ecosystem. Historical evidence indicating the existence followed by the extinction of mangrove in Kuwait; hence, continuous projects have been established to reintroduce this plant to the marine ecosystem. One of the major challenges in establishing large-scale mangrove plantations in Kuwait is the very high rate of seedling mortality, which should ideally be less than 20%. This study was conducted at three selected locations in the Kuwait bay during 2016-2017, to evaluate the effect of four planting techniques on mangrove seedling establishment. Coir-pillow planting technique, comp-mat planting technique, and anchored container planting technique were compared with the conventional planting method. The study revealed that the planting techniques significantly affected the establishment of mangrove seedlings in the initial stages of growth. Location-specific difference in seedling establishment was also observed during the course of the study. However, irrespective of the planting techniques employed, high seedling mortality was observed in all the planting locations towards the end of the study; which may be attributed to the physicochemical characteristics of the mudflats selected.

Keywords: Avicennia marina (Forsk.) Vierh, coastal pollution, heavy metal accumulation, marine ecosystem, sedimentation, tidal inundation

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Authors: Huimin Liu, Li Xiang, Yue Liu, Jing Wang

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Background: As one of typical case for the developing countries who are stepping into the aging times globally, more and more older people in China might face the problem of which they could not maintain normal life due to the functional disability. While the government take efforts to build long-term care system and further carry out related policies for the core concept, there is still lack of strong evidence to evaluating the profile of disability states in the elderly population and its transition rate. It has been proved that disability is a dynamic condition of the person rather than irreversible so it means possible to intervene timely on them who might be in a risk of severe disability. Objective: The aim of this study was to depict the picture of the disability transferring status of the older people in China, and then find out individual characteristics that change the state of disability to provide theory basis for disability prevention and early intervention among elderly people. Methods: Data for this study came from the 2011 baseline survey and the 2013 follow-up survey of the China Health and Retirement Longitudinal Study (CHARLS). Normal ADL function, 1~2 ADLs disability,3 or above ADLs disability and death were defined from state 1 to state 4. Multi-state Markov model was applied and the four-state homogeneous model with discrete states and discrete times from two visits follow-up data was constructed to explore factors for various progressive stages. We modeled the effect of explanatory variables on the rates of transition by using a proportional intensities model with covariate, such as gender. Result: In the total sample, state 2 constituent ratio is nearly about 17.0%, while state 3 proportion is blow the former, accounting for 8.5%. Moreover, ADL disability statistics difference is not obvious between two years. About half of the state 2 in 2011 improved to become normal in 2013 even though they get elder. However, state 3 transferred into the proportion of death increased obviously, closed to the proportion back to state 2 or normal functions. From the estimated intensities, we see the older people are eleven times as likely to develop at 1~2 ADLs disability than dying. After disability onset (state 2), progression to state 3 is 30% more likely than recovery. Once in state 3, a mean of 0.76 years is spent before death or recovery. In this model, a typical person in state 2 has a probability of 0.5 of disability-free one year from now while the moderate disabled or above has a probability of 0.14 being dead. Conclusion: On the long-term care cost considerations, preventive programs for delay the disability progression of the elderly could be adopted based on the current disabled state and main factors of each stage. And in general terms, those focusing elderly individuals who are moderate or above disabled should go first.

Keywords: Markov model, elderly people, disability, transition intensity

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Authors: Deni̇z Ezgi̇ Gülmez, Mesut Kirca

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Nanoporous (np) metals have attracted considerable attention owing to their cellular morphological features at atomistic scale which yield ultra-high specific surface area awarding a great potential to be employed in diverse applications such as catalytic, electrocatalytic, sensing, mechanical and optical. As one of the carbon based nanostructures, fullerenes are also another type of outstanding nanomaterials that have been extensively investigated due to their remarkable chemical, mechanical and optical properties. In this study, the idea of improving the mechanical behavior of nanoporous metals by inclusion of the fullerenes, which offers a new metal-carbon nanocomposite material, is examined and discussed. With this motivation, tensile mechanical behavior of nanoporous metals reinforced with carbon fullerenes is investigated by classical molecular dynamics (MD) simulations. Atomistic models of the nanoporous metals with ultrathin ligaments are obtained through a stochastic process simply based on the intersection of spherical volumes which has been used previously in literature. According to this technique, the atoms within the ensemble of intersecting spherical volumes is removed from the pristine solid block of the selected metal, which results in porous structures with spherical cells. Following this, fullerene units are added into the cellular voids to obtain final atomistic configurations for the numerical tensile tests. Several numerical specimens are prepared with different number of fullerenes per cell and with varied fullerene sizes. LAMMPS code was used to perform classical MD simulations to conduct uniaxial tension experiments on np models filled by fullerenes. The interactions between the metal atoms are modeled by using embedded atomic method (EAM) while adaptive intermolecular reactive empirical bond order (AIREBO) potential is employed for the interaction of carbon atoms. Furthermore, atomic interactions between the metal and carbon atoms are represented by Lennard-Jones potential with appropriate parameters. In conclusion, the ultimate goal of the study is to present the effects of fullerenes embedded into the cellular structure of np metals on the tensile response of the porous metals. The results are believed to be informative and instructive for the experimentalists to synthesize hybrid nanoporous materials with improved properties and multifunctional characteristics.

Keywords: fullerene, intersecting spheres, molecular dynamic, nanoporous metals

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Authors: Anton G. Akulichev, Avinash Tiwari, Ben Alcock, Andreas Echtermeyer

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Low temperatures are known to pose a major threat for polymers; many are prone to excessive stiffness or even brittleness. There is a technology gap between the properties of existing elastomeric sealing materials and the properties needed for service in extremely cold regions. Moreover, some aspects of low temperature behaviour of rubber are not thoroughly studied and understood. The paper presents results of laboratory testing of a conventional oilfield HNBR (hydrogenated nitrile butadiene rubber) elastomer at low climatic temperatures above and below its glass transition point, as well as the performance of some filled HNBR formulations. Particular emphasis in the experiments is put on rubber viscoelastic characteristics studied by Dynamic Mechanical Analysis (DMA) and quasi-static mechanical testing results at low temperatures. As demonstrated by the stress relaxation and DMA experiments the transition region near Tg of the studied compound has the most striking features, like rapid stress relaxation, as compared to the glassy and rubbery plateau. In addition the quasi-static experiments show that molecular movement below Tg is not completely frozen, but rather evident and manifested in a certain stress decay as well. The effect of temperature and filler additions on typical mechanical and other properties of the materials is also discussed.

Keywords: characterization, filled elastomers, HNBR, low temperature

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Authors: Mesfin Tsegaw, Sivakumar C. V., Chandrakal Gunturu, Meera Indracanti

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Chromium (VI), a toxic metal ion, is widely used in electroplating, stainless steel production, leather tanning, paint, and textile manufacturing. Cr (VI) is mobile in the environment, acutely toxic and carcinogenic. In the present study, the ability to remove Cr (VI) from aqueous solutions has been compared using leaves of dwarf and gamthi varieties of Murayya koerigii abundantly available in Selaqui region of Dehradun as an adsorbent. Effects of temperature, pH, initial concentration of adsorbate and adsorbent dosage have been studied for effective removal of Cr (VI). The biosorptive ability of biosorbent was reliant on the pH of the biosorbate, with pH 2 being most favorable for both the varieties. The obtained results were analyzed by the Freundlich and Langmuir equation at different temperature and related parameters were determined for each adsorption isotherm. The study also includes results on the kinetic dimensions of adsorption of the Cr (VI) on the derived adsorbent. Gamthi variety has a promising absorption rate of 80% over the dwarf variety. FTIR studies confirmed that carboxyl and hydroxyl groups were the main groups involved in the metal uptake.

Keywords: adsorption, cromium, kinetics, variety

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Authors: Zakaria Kharbouch, Mustapha Bouchaara, F. Elkouihen, A. Habbal, A. Ratnani, A. Faik

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Solid-state lithium-ion batteries have garnered increasing interest in modern energy research due to their potential for safer, more efficient, and sustainable energy storage systems. Among the critical components of these batteries, the electrolyte plays a pivotal role, with LLZO garnet-based electrolytes showing significant promise. Garnet materials offer intrinsic advantages such as high Li-ion conductivity, wide electrochemical stability, and excellent compatibility with lithium metal anodes. However, optimizing ionic conductivity in garnet structures poses a complex challenge, primarily due to the multitude of potential dopants that can be incorporated into the LLZO crystal lattice. The complexity of material design, influenced by numerous dopant options, requires a systematic method to find the most effective combinations. This study highlights the utility of machine learning (ML) techniques in the materials discovery process to navigate the complex range of factors in garnet-based electrolytes. Collaborators from the materials science and ML fields worked with a comprehensive dataset previously employed in a similar study and collected from various literature sources. This dataset served as the foundation for an extensive data refinement phase, where meticulous error identification, correction, outlier removal, and garnet-specific feature engineering were conducted. This rigorous process substantially improved the dataset's quality, ensuring it accurately captured the underlying physical and chemical principles governing garnet ionic conductivity. The data refinement effort resulted in a significant improvement in the predictive performance of the machine learning model. Originally starting at an accuracy of 0.32, the model underwent substantial refinement, ultimately achieving an accuracy of 0.88. This enhancement highlights the effectiveness of the interdisciplinary approach and underscores the substantial potential of machine learning techniques in materials science research.

Keywords: lithium batteries, all-solid-state batteries, machine learning, solid state electrolytes

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Authors: Domenico Carmelo Mongelli, Laura Carnieletto, Michele De Carli, Filippo Busato

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Starting from the current context in which the Russian invasion in Ukraine has highlighted Europe's dependence on natural gas imports for heating buildings, this study proposes solutions to resolve this dependency and evaluates related scenarios in the near future. In the first part of this work the methodologies and results of the economic impact are indicated by simulating a massive replacement of boilers powered by fossil fuels with electrically powered hightemperature air-water heat pumps for heating residential buildings in different European climates, without changing the current energy mix. For each individual European region, the costs for the purchase and installation of heat pumps for all residential buildings have been determined. Again for each individual European region, the economic savings during the operation phase that would be obtained in this future scenario of energy transition from fossil fuels to the electrification of domestic heating were calculated. For the European regions for which the economic savings were identified as positive, the payback times of the economic investments were analysed. In the second part of the work, hypothesizing different scenarios for a possible greater use of renewable energy sources and therefore with different possible future scenarios of the energy mix, the methodologies and results of the simulations on the economic analysis and on the environmental analysis are reported which have allowed us to evaluate the future effects of the energy transition from boilers to heat pumps for each European region. In the third part, assuming a rapid short-term diffusion of cooling for European residential buildings, the penetration shares in the cooling market and future projections of energy needs for cooling for each European region have been identified. A database was created where the results of this research relating to 38 European Nations divided into 179 regions were reported. Other previous works on the topics covered were limited to analyzing individual European nations, without ever going into detail about the individual regions within each nation, while the original contribution of the present work lies in the fact that the results achieved allow a specific numerical analysis and punctual for every single European region.

Keywords: buildings, energy, Europe, future

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Authors: Maryam Samani. Ahmad Golchin. Hosseinali Alikkani. Ahmad Baybordi

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Natural diatomite was modified by grinding and acid treatment to increase surface area and to decrease the impurities. Surface area and pore volume of the modified diatomite were 67.45 m² g-1 and 0.105 cm³ g-¹ respectively, and used to immobilize Pb, Zn and Cu in an urban soil. The modified diatomite was added to soil samples at the rates of 2.5, 5, 7.5 and 10% and the samples incubated for 60 days. The addition of modified diatomite increased SSA of the soil. The SSAs of soils with 2.5, 5.0, 7.5 and 10% modified diatomite were 20.82, 22.02, 23.21 and 24.41 m² g-¹ respectively. Increasing the SSAs of the soils by the application of modified diatomite reduced the DTPA extractable concentrations of heavy metals compared with un-amendment control. The concentration of Pb, Zn and Cu were reduced by 91.1%, 82% and 91.1% respectively. Modified diatomite reduced the concentration of Exchangeable and Carbonate bounded species of Pb, Zn and Cu, compared with the control. Also significantly increased the concentration of Fe Mn- OX (Fe-Mn Oxides) and OM (Organic Matter) bound and Res (Residual) fraction. Modified diatomite increased the urease, dehydrogenase and alkaline phosphatase activity by 52%, 57% and 56.6% respectively.

Keywords: modified diatomite, chemical specifications, specific surface area, enzyme activity, immobilization, heavy metal, soil remediation

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Authors: Deepak

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WEDM is an amazingly potential electro-wire process for machining of hard metal compounds and metal grid composites without making contact. Wire electrical machining is a developing noncustomary machining process for machining hard to machine materials that are electrically conductive. It is an exceptionally exact, precise, and one of the most famous machining forms in nontraditional machining. WEDM has turned into the fundamental piece of many assembling process ventures, which require precision, variety, and accuracy. In the present examination, AA-6063 is utilized as a workpiece, and execution investigation is done to discover the critical control factors. Impact of different parameters like a pulse on time, pulse off time, servo voltage, peak current, water pressure, wire tension, wire feed upon surface hardness has been researched while machining on AA-6063. RSM has been utilized to advance the yield variable. A variety of execution measures with input factors was demonstrated by utilizing the response surface methodology.

Keywords: AA-6063, response surface methodology, WEDM, surface roughness

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Authors: Irina P. Starodubtseva, Aleksandr N. Pavlenko

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Quenching is a term generally accepted for the process of rapid cooling of a solid that is overheated above the thermodynamic limit of the liquid superheat. The main objective of many previous studies on quenching is to find a way to reduce the total time of the transient process. Computational experiments were performed to simulate quenching by a falling liquid nitrogen film of an extremely overheated vertical copper plate with a structured capillary-porous coating. The coating was produced by directed plasma spraying. Due to the complexities in physical pattern of quenching from chaotic processes to phase transition, the mechanism of heat transfer during quenching is still not sufficiently understood. To our best knowledge, no information exists on when and how the first stable liquid-solid contact occurs and how the local contact area begins to expand. Here we have more models and hypotheses than authentically established facts. The peculiarities of the quench front dynamics and heat transfer in the transient process are studied. The created numerical model determines the quench front velocity and the temperature fields in the heater, varying in space and time. The dynamic pattern of the running quench front obtained numerically satisfactorily correlates with the pattern observed in experiments. Capillary-porous coatings with straight and reverse orientation of crests are investigated. The results show that the cooling rate is influenced by thermal properties of the coating as well as the structure and geometry of the protrusions. The presence of capillary-porous coating significantly affects the dynamics of quenching and reduces the total quenching time more than threefold. This effect is due to the fact that the initialization of a quench front on a plate with a capillary-porous coating occurs at a temperature significantly higher than the thermodynamic limit of the liquid superheat, when a stable solid-liquid contact is thermodynamically impossible. Waves present on the liquid-vapor interface and protrusions on the complex micro-structured surface cause destabilization of the vapor film and the appearance of local liquid-solid micro-contacts even though the average integral surface temperature is much higher than the liquid superheat limit. The reliability of the results is confirmed by direct comparison with experimental data on the quench front velocity, the quench front geometry, and the surface temperature change over time. Knowledge of the quench front velocity and total time of transition process is required for solving practically important problems of nuclear reactors safety.

Keywords: capillary-porous coating, heat transfer, Leidenfrost phenomenon, numerical simulation, quenching

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Authors: Reza Khoshnood, Zahra Khoshnood, Ali Hajinajaf, Farzad Fahim, Behdokht Hajinajaf, Farhad Fahim

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In 2013, 24 fish samples were taken from two fishery regions in Bandar-Abbas and Bandar-Lengeh, the fishing grounds north of Hormoz Strait (Persian Gulf) near the Iranian coastline. The two flat fishes were oriental sole (Euryglossa orientalis) and deep flounder (Psettodes erumei). Using the ROPME method (MOOPAM) for chemical digestion, Cd concentration was measured with a nonflame atomic absorption spectrophotometry technique. The average concentration of Cd in the edible muscle tissue of deep flounder was measured in Bandar-Abbas and was found to be 0.15±.06 µg g-1. It was 0.1±.05 µg.g-1 in Bandar-Lengeh. The corresponding values for oriental sole were 0.2±0.13 and 0.13±0.11 µg.g-1. The average concentration of Cd in the liver tissue of deep flounder in Bandar-Abbas was 0.22±.05 µg g-1 and that in Bandar-Lengeh was 0.2±0.04 µg.g-1. The values for oriental sole were 0.31±0.09 and 0.24±0.13 µg g-1 in Bandar-Abbas and Bandar-Lengeh, respectively.

Keywords: trace metal, Euryglossa orientalis, Psettodes erumei, Persian Gulf

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Authors: P. Chihomvu, P. Stegmann, M. Pillay

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Pollution of the Klip River has caused microorganisms inhabiting it to develop protective survival mechanisms. This study isolated and characterized the heavy metal resistant bacteria in the Klip River. Water and sediment samples were collected from six sites along the course of the river. The pH, turbidity, salinity, temperature and dissolved oxygen were measured in-situ. The concentrations of six heavy metals (Cd, Cu, Fe, Ni, Pb, and Zn) of the water samples were determined by atomic absorption spectroscopy. Biochemical and antibiotic profiles of the isolates were assessed using the API 20E® and Kirby Bauer Method. Growth studies were carried out using spectrophotometric methods. The isolates were identified using 16SrDNA sequencing. The uppermost part of the Klip River with the lowest pH had the highest levels of heavy metals. Turbidity, salinity and specific conductivity increased measurably at Site 4 (Henley on Klip Weir). MIC tests showed that 16 isolates exhibited high iron and lead resistance. Antibiotic susceptibility tests revealed that the isolates exhibited multi-tolerances to drugs such as tetracycline, ampicillin, and amoxicillin.

Keywords: Klip River, heavy metals, resistance, 16SrDNA

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Authors: Abraham Addo-Bediako

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Many freshwater ecosystems are facing immense pressure from anthropogenic activities, such as agricultural, industrial and mining. Trace metal pollution in freshwater ecosystems has become an issue of public health concern due to its toxicity and persistence in the environment. Trace elements pose a serious risk not only to the environment and aquatic biota but also humans. Chromium is one of such trace elements and its pollution in surface waters and groundwaters represents a serious environmental problem. In South Africa, agriculture, mining, industrial and domestic wastes are the main contributors to chromium discharge in rivers. The common forms of chromium are chromium (III) and chromium (VI). The latter is the most toxic because it can cause damage to human health. The aim of the study was to assess the contamination of chromium in the water and sediments of two rivers in the Steelpoort River sub-catchment of the Olifants River Basin, South Africa and human health risk. The concentration of Cr was analyzed using inductively coupled plasma–optical emission spectrometry (ICP-OES). The concentration of the metal was found to exceed the threshold limit, mainly in areas of high human activities. The hazard quotient through ingestion exposure did not exceed the threshold limit of 1 for adults and children and cancer risk for adults and children computed did not exceed the threshold limit of 10-4. Thus, there is no potential health risk from chromium through ingestion of drinking water for now. However, with increasing human activities, especially mining, the concentration could increase and become harmful to humans who depend on rivers for drinking water. It is recommended that proper management strategies should be taken to minimize the impact of chromium on the rivers and water from the rivers should properly be treated before domestic use.

Keywords: land use, health risk, metal pollution, water quality

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Authors: Ali Mohammed Yimer, Ayalew H. Assen, Youssef Belmabkhout

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This study delves into sustainable approaches for valorizing phosphatic wastes, specifically phosphate mining wastes and phosphogypsum, which are byproducts of phosphate industries and pose significant environmental challenges due to their accumulation. We propose a unified strategic synthesis method aimed at converting these wastes into hetero-functional porous materials. Our approach involves isolating the primary components of phosphatic wastes, such as CaO, SiO2 and Al2O3 to fabricate functional porous materials falling into two distinct classes. Firstly, alumina and silica components are extracted or isolated to produce zeolites (including CAN, GIS, SOD, FAU, and LTA), characterized by a Si/Al ratio of less than 5. Secondly, residual calcium is utilized to synthesize calcium-based metal–organic frameworks (Ca-MOFs) employing various organic linkers like Ca-BDC, Ca-BTC and Ca-TCPB (SBMOF-2), thereby providing flexibility in material design. Characterization techniques including XRD, SEM-EDX, FTIR, and TGA-MS affirm successful material assembly, while sorption analyses using N2, CO2, and H2O demonstrate the porosity of the materials. Particularly noteworthy is the water/alcohol separation potential exhibited by the Ca-BTC MOF, owing to its optimal pore aperture size (∼3.4 Å). To enhance replicability and scalability, detailed protocols for each synthesis step and specific conditions for each process are provided, ensuring that the methodology can be easily reproduced and scaled up for industrial applications. This synthetic transformation approach represents a valorization route for converting phosphatic wastes into extended porous structures, promising significant environmental and economic benefits.

Keywords: calcium-based metal-organic frameworks, low-silica zeolites, porous materials, sustainable synthesis, valorization

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Authors: Hosein Hamisheh Bahar, Mohammad Hossein Fazel Zarandi, Akbar Esfahanipour

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In this paper, a hybrid expert system is developed by using fuzzy genetic network programming with reinforcement learning (GNP-RL). In this system, the frame-based structure of the system uses the trading rules extracted by GNP. These rules are extracted by using technical indices of the stock prices in the training time period. For developing this system, we applied fuzzy node transition and decision making in both processing and judgment nodes of GNP-RL. Consequently, using these method not only did increase the accuracy of node transition and decision making in GNP's nodes, but also extended the GNP's binary signals to ternary trading signals. In the other words, in our proposed Fuzzy GNP-RL model, a No Trade signal is added to conventional Buy or Sell signals. Finally, the obtained rules are used in a frame-based system implemented in Kappa-PC software. This developed trading system has been used to generate trading signals for ten companies listed in Tehran Stock Exchange (TSE). The simulation results in the testing time period shows that the developed system has more favorable performance in comparison with the Buy and Hold strategy.

Keywords: fuzzy genetic network programming, hybrid expert system, technical trading signal, Tehran stock exchange

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Authors: Kuheli Chakrabarty, Animesh Ghosh, Atanu Roy, Gourab Kanti Das

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Aldol reaction is an important class of carbon-carbon bond forming reactions. One of the popular ways to impose asymmetry in aldol reaction is the introduction of chiral auxiliary that binds the approaching reactants and create dissymmetry in the reaction environment, which finally evolves to enantiomeric excess in the aldol products. The last decade witnesses the usage of natural amino acids as chiral auxiliary to control the stereoselectivity in various carbon-carbon bond forming processes. In this context, L-proline was found to be an effective organocatalyst in asymmetric aldol additions. In last few decades the use of water as solvent or co-solvent in asymmetric organocatalytic reaction is increased sharply. Simple amino acids like L-proline does not catalyze asymmetric aldol reaction in aqueous medium not only that, In organic solvent medium high catalytic loading (~30 mol%) is required to achieve moderate to high asymmetric induction. In this context, huge efforts have been made to modify L-proline and 4-hydroxy-L-proline to prepare organocatalyst for aqueous medium asymmetric aldol reaction. Here, we report the result of our DFT calculations on asymmetric aldol reaction of benzaldehyde, p-NO2 benzaldehyde and t-butyraldehyde with a number of ketones using L-proline hydrazide as organocatalyst in wet solvent free condition. Gaussian 09 program package and Gauss View program were used for the present work. Geometry optimizations were performed using B3LYP hybrid functional and 6-31G(d,p) basis set. Transition structures were confirmed by hessian calculation and IRC calculation. As the reactions were carried out in solvent free condition, No solvent effect were studied theoretically. Present study has revealed for the first time, the direct involvement of two water molecules in the aldol transition structures. In the TS, the enamine and the aldehyde is connected through hydrogen bonding by the assistance of two intervening water molecules forming a supramolecular network. Formation of this type of supramolecular assembly is possible due to the presence of protonated -NH2 group in the L-proline hydrazide moiety, which is responsible for the favorable entropy contribution to the aldol reaction. It is also revealed from the present study that, water assisted TS is energetically more favorable than the TS without involving any water molecule. It can be concluded from this study that, insertion of polar group capable of hydrogen bond formation in the L-proline skeleton can lead to a favorable aldol reaction with significantly high enantiomeric excess in wet solvent free condition by reducing the activation barrier of this reaction.

Keywords: aldol reaction, DFT, organocatalysis, transition structure

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Authors: Payam Hayati, Fateme Firoozbakht, Gholamhassan Azimi, Shahram Tangestaninejad

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The synthesis of a photocatalytic adsorbent involved the integration of carbon dots (CD) into a metal-organic framework (MOF) of MIL-88B(Fe) using the solvothermal technique. Characterization of the resulting CD@MIL-88B(Fe) was conducted using various analytical methods, including X-ray-based microscopic and spectroscopic techniques, electrochemical impedance spectroscopy, UV–Vis, FT-IR, DRS, TGA, and photoluminescence (PL) analysis. The adsorbent demonstrated significant photocatalytic activity, achieving up to 92% and 90% removal of amphotericin B (AmB) and naproxen (Nap) from aqueous solutions under visible light, with an RSD value of around 5%. The study explored the factors influencing the degradation of pharmaceuticals and determined the optimal conditions for the process, including pH values of 3 and 4 for AmB and Nap, a photocatalyst concentration of 0.2 g L-1, and an H2O2 concentration ranging from 40 to 50 mM. Reactive oxidative species such as ⋅OH and ⋅O2 were identified through the examination of different scavengers. Additionally, the adsorption isotherm and kinetic studies revealed that the synthesized photocatalyst functions as an effective adsorbent, with maximum adsorption capacities of 42.5 and 121.5 mg g-1 for AmB and Nap, while also serving as a photocatalytic agent for removal purposes.

Keywords: fenton-like degradation, metal-organic frameworks, heterogenous photocatalysts, naproxen

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Authors: Jiwoo Park, Junseok Yoon, Jeong Kim, Beomsoo Kang

Abstract:

Multi-Point Stretch Forming (MPSF) process is suitable for flexible manufacturing, and it has several advantages including that it could be applied to various forming such as sheet metal forming, single curved surface forming and double curved one. In this study, a systematic numerical simulation was carried out for atypical double curved surface forming using the multiple die stretch forming process. In this simulation, urethane pads were defined based on hyper-elastic material model as a cushion for the smooth forming surface. The deformation behaviour on elastic recovery was also investigated to consider the exact result after the last forming process, and then the experiment was also carried out to confirm the formability of this forming process. By comparing the simulation and experiment results, the suitability of the multiple die stretch forming process for the atypical double curved surface was verified. Consequently, it is confirmed that the multi-point stretch forming process has the capability and feasibility of being used to manufacture the double curved surfaces of sheet metal.

Keywords: multi-point stretch forming, double curved surface, numerical simulation, manufacturing

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Authors: Nirjhar Dhang, S. Vinay Kumar

Abstract:

Concrete is a non-homogeneous mix of coarse aggregates, sand, cement, air-voids and interfacial transition zone (ITZ) around aggregates. Adoption of these complex structures and material properties in numerical simulation would lead us to better understanding and design of concrete. In this work, the mesoscale model of concrete has been prepared from X-ray computerized tomography (CT) image. These images are converted into computer model and numerically simulated using commercially available finite element software. The mesoscale models are simulated under the influence of compressive displacement. The effect of shape and distribution of aggregates, continuous and discrete ITZ thickness, voids, and variation of mortar strength has been investigated. The CT scan of concrete cube consists of series of two dimensional slices. Total 49 slices are obtained from a cube of 150mm and the interval of slices comes approximately 3mm. In CT scan images, the same cube can be CT scanned in a non-destructive manner and later the compression test can be carried out in a universal testing machine (UTM) for finding its strength. The image processing and extraction of mortar and aggregates from CT scan slices are performed by programming in Python. The digital colour image consists of red, green and blue (RGB) pixels. The conversion of RGB image to black and white image (BW) is carried out, and identification of mesoscale constituents is made by putting value between 0-255. The pixel matrix is created for modeling of mortar, aggregates, and ITZ. Pixels are normalized to 0-9 scale considering the relative strength. Here, zero is assigned to voids, 4-6 for mortar and 7-9 for aggregates. The value between 1-3 identifies boundary between aggregates and mortar. In the next step, triangular and quadrilateral elements for plane stress and plane strain models are generated depending on option given. Properties of materials, boundary conditions, and analysis scheme are specified in this module. The responses like displacement, stresses, and damages are evaluated by ABAQUS importing the input file. This simulation evaluates compressive strengths of 49 slices of the cube. The model is meshed with more than sixty thousand elements. The effect of shape and distribution of aggregates, inclusion of voids and variation of thickness of ITZ layer with relation to load carrying capacity, stress-strain response and strain localizations of concrete have been studied. The plane strain condition carried more load than plane stress condition due to confinement. The CT scan technique can be used to get slices from concrete cores taken from the actual structure, and the digital image processing can be used for finding the shape and contents of aggregates in concrete. This may be further compared with test results of concrete cores and can be used as an important tool for strength evaluation of concrete.

Keywords: concrete, image processing, plane strain, interfacial transition zone

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Authors: Hamideh Marefat, Eskandar Samadi

Abstract:

This study examined the effect of semantics on processing ambiguous sentences containing Relative Clauses (RCs) preceded by a complex Determiner Phrase (DP) by Persian-speaking learners of L2 English with different proficiency and Working Memory Capacities (WMCs). The semantic relationship studied was one between the subject of the main clause and one of the DPs in the complex DP to see if, as predicted by Spreading Activation Model, priming one of the DPs through this semantic manipulation affects the L2ers’ preference. The results of a task using Rapid Serial Visual Processing (time-controlled paradigm) showed that manipulation of the relationship between the subject of the main clause and one of the DPs in the complex DP preceding RC has no effect on the choice of the antecedent; rather, the L2ers' processing is guided by the phrase structure information. Moreover, while proficiency did not have any effect on the participants’ preferences, WMC brought about a difference in their preferences, with a DP1 preference by those with a low WMC. This finding supports the chunking hypothesis and the predicate proximity principle, which is the strategy also used by monolingual Persian speakers.

Keywords: semantics, relative clause processing, ambiguity resolution, proficiency, working memory capacity

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Authors: Edison A. Bonifaz

Abstract:

In this work, a numerical procedure is proposed to design dense multi-material structures using the Directed Energy Deposition (DED) process. A thermo-mechanical finite element model to predict thermal cycles and residual stresses is presented. A numerical layer build-up procedure coupled with a moving heat flux was constructed to minimize strains and residual stresses that result in the multi-layer deposition of an AISI 316 austenitic steel on an AISI 304 austenitic steel substrate. To simulate the DED process, the automated interface of the ABAQUS AM module was used to define element activation and heat input event data as a function of time and position. Of this manner, the construction of ABAQUS user-defined subroutines was not necessary. Thermal cycles and thermally induced stresses created during the multi-layer deposition metal AM pool crystallization were predicted and validated. Results were analyzed in three independent metal layers of three different experiments. The one-way heat and material deposition toolpath used in the analysis was created with a MatLab path script. An optimal combination of feedstock and heat input printing parameters suitable for fabricating multi-material dense structures in the directed energy deposition metal AM process was established. At constant power, it can be concluded that the lower the heat input, the lower the peak temperatures and residual stresses. It means that from a design point of view, the one-way heat and material deposition processing toolpath with the higher welding speed should be selected.

Keywords: event series, thermal cycles, residual stresses, multi-pass welding, abaqus am modeler

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Authors: Csilla Dudás, Éva Böszörményi, Bence Kutus, István Pálinkó, Pál Sipos

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In this study the behavior of alpha-D-isosaccharinate (2-hydroxymethyl-3-deoxy-D-erythro-pentonate, ISA−) in alkaline medium in the presence of calcium was studied. At first the Ca–ISA system was studied by Ca-ion selective electrode (Ca-ISE) in neutral medium at T = 25 °C and I = 1 M NaCl to determine the formation constant of the CaISA+ monocomplex, which was found to be logK = 1.01 ± 0.01 for the reaction of Ca2+ + ISA– = CaISA+. In alkaline medium pH potentiometric titrations were carried out to determine the composition and stability constant of the complex(es) formed. It was found that in these systems above pH = 12.5 the predominant species is the CaISAOH complex. Its formation constant was found to be logK = 3.04 ± 0.05 for the reaction of Ca2+ + ISA– + H2O = CaISAOH + H+ at T = 25 °C and I = 1 M NaCl. Solubility measurements resulted in data consistent with those of the potentiometric titrations. Temperature dependent NMR spectra showed that the slow exchange range between the complex and the free ligand is below 5 °C. It was also showed that ISA– acts as a multidentate ligand forming macrochelate Ca-complexes. The structure of the complexes was determined by using ab initio quantum chemical calculations.

Keywords: Ca-ISE potentiometry, calcium complexes, isosaccharinate ion, NMR spectroscopy, pH potentiometry

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Authors: Mohsen Hajian Foroushani, Samane Maroufi, Rasoul Khayyam Nekouei, Veena Sahajwalla

Abstract:

Lithium (Li) metal possesses outstanding characteristics, with the highest specific capacity (3860 mAh g-1) and the lowest electrochemical potential (-3.04 V vs. SHE) among available metal anodes. The collaborative impact of Li and sulfur, featuring a specific capacity of 1670 mAh g-1, positions Li–S batteries (LSBs) as highly promising contenders for the next generation of high-energy-density batteries. However, the comprehensive commercialization of LSBs relies on addressing various challenges inherent to these batteries. One of the most formidable hurdles is the widespread issue of Li dendrite nucleation and growth on the anode surface, stemming from the inherent instability of the solid electrolyte interphase (SEI) layer. In this study, we employed a Zn-based coating derived from waste materials, significantly enhancing the performance of the symmetrical cell across various current densities. The applied coating not only improved the cyclability of the cell by more than fourfold but also reduced the charge transfer resistance from over 300 to less than 10 before cycling. Examination through SEM micrographs of both samples revealed the successful suppression of Li dendrites by the applied coating.

Keywords: Li-S batteries, Li dendrite, sustainability, Li anode

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Authors: Shohreh Azizi, Memory Tekere, Wag Nel

Abstract:

An evaluation of the characteristics of wastewater generated from small communities was carried out in relation to decentralized approach for domestic sewage treatment plant and design of biological nutrient removal system. The study included the survey of the waste from various individual communities such as a hotel, a residential complex, an office premise, and an educational institute. The results indicate that the concentration of organic pollutant in wastewater from the residential complex is higher than the waste from all the other communities with COD 664 mg/l, BOD 370.2 mg/l and TSS 248.8 mg/l. And the waste water from office premise indicates low organic load with COD428 mg/l, BOD 232mg/l and TSS 157mg/l. The wastewater from residential complex was studied under activated sludge process to evaluate this technology for decentralized wastewater treatment. The Activated sludge process was operated at different 12to 4 hrs hydraulic retention times and the optimum 6 hrs HRT was selected, therefore the average reduction of COD (85.92%) and BOD (91.28 %) was achieved. The issue of sludge recycling, maintenance of biomass concentration and high HRT reactor (10 L) volume are making the system non-practical for smaller communities.

Keywords: wastewater, small communities, activated sludge process, decentralized system

Procedia PDF Downloads 350