Search results for: surface water systems
17774 Crack Size and Moisture Issues in Thermally Modified vs. Native Norway Spruce Window Frames: A Hygrothermal Simulation Study
Authors: Gregor Vidmar, Rožle Repič, Boštjan Lesar, Miha Humar
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The study investigates the impact of cracks in surface coatings on moisture content (MC) and related fungal growth in window frames made of thermally modified (TM) and native Norway spruce using hygrothermal simulations for Ljubljana, Slovenia. Comprehensive validation against field test data confirmed the numerical model's predictions, demonstrating similar trends in MC changes over the investigated four years. Various established mould growth models (isopleth, VTT, bio hygrothermal) did not appropriately reflect differences between the spruce types because they do not consider material moisture content, leading to the main conclusion that TM spruce is more resistant to moisture-related issues. Wood's MC influences fungal decomposition, typically occurring above 25% - 30% MC, with some fungi growing at lower MC under conducive conditions. Surface coatings cannot wholly prevent water penetration, which becomes significant when the coating is damaged. This study investigates the detrimental effects of surface coating cracks on wood moisture absorption, comparing TM spruce and native spruce window frames. Simulations were conducted for undamaged and damaged coatings (from 1 mm to 9 mm wide cracks) on window profiles as well as for uncoated profiles. Sorption curves were also measured up to 95% of the relative humidity. MC was measured in the frames exposed to actual climatic conditions and compared to simulated data for model validation. The study utilizes a simplified model of the bottom frame part due to convergence issues with simulations of the whole frame. TM spruce showed about 4% lower MC content compared to native spruce. Simulations showed that a 3 mm wide crack in native spruce coatings for the north orientation poses significant moisture risks, while a 9 mm wide crack in TM spruce coatings remains acceptable furthermore in the case of uncoated TM spruce could be acceptable. In addition, it seems that large enough cracks may cause even worse moisture dynamics compared to uncoated native spruce profiles. The absorption curve comes out to be the far most influential parameter, and the next one is density. Existing mould growth models need to be upgraded to reflect wood material differences accurately. Due to the lower sorption curve of TM spruce, in reality, higher RH values are obtained under the same boundary conditions, which implies a more critical situation according to these mould growth models. Still, it does not reflect the difference in materials, especially under external exposure conditions. Even if different substrate categories in the isopleth and bio-hygrothermal model or different sensitivity material classes for standard and TM wood are used, it does not necessarily change the expected trends; thus, models with MC being the inherent part of the models should be introduced. Orientation plays a crucial role in moisture dynamics. Results show that for similar moisture dynamics, for Norway spruce, the crack could be about 2 mm wider on the south than on the north side. In contrast, for TM spruce, orientation isn't as important, compared to other material properties. The study confirms the enhanced suitability of TM spruce for window frames in terms of moisture resistance and crack tolerance in surface coatings.Keywords: hygrothermal simulations, mould growth, surface coating, thermally modified wood, window frame
Procedia PDF Downloads 3517773 Understanding the Cultural Landscape of Kuttanad: Life within the Constraints of Nature
Authors: K. Nikilsha, Lakshmi Manohar, Debayan Chatterjee
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Landscape is a setting that informs the way of life of a set of people, and the repository of intangible values and human meanings that nurture our very existence. Along with the linkage that it forms with our lives, it can be argued that landscape and memory cannot be separated, as landscape is the nucleus of our memories. In this context, this paper studies landscape evolution of a region with unique geographic setting, where the dependency of the inhabitants on its resources, led to the formation of certain peculiar beliefs and taboos that formed the basis of a set of unwritten rules and guidelines which they still follow as a part of their lifestyle. One such example is Kuttanad, a low lying region in Kerala which is a complex mosaic of fragmented agricultural landscape incorporating coastal backwaters, rivers, marshes, paddy fields and water channels. The more the physical involvement with the resources, the more was the inhabitants attachment towards it. This attachment of the inhabitants to the place is very strong because the creation of this land was the result of the toil of the low caste labourers who strived day and night to create Kuttanad, which was reclaimed from water with the help of the finance supplied by their landlords. However, the greatest challenge faced by them is posed by the forces of water in the form of floods. As this land is fed by five rivers, even the slight variation in rainfall in its watershed area can cause a large imbalance in the water level causing the reclaimed land to be inundated. The effects of climate change including increase in rainfall, rise in sea level and change of seasons can act as a catalyst to this damage. Hasty urbanization has led to the conversion of paddy fields to housing plots and coconut/plantain fields giving no regard to the traditional systems which had once respected nature and combated floods and draughts through the various cultural practices and taboos practiced by the people. Thus it is essential to look back at the landscape evolution of Kuttanad and to recognise methods used traditionally in the region to establish a cultural landscape, and to understand how climate change and urbanisation shall pose a challenge to the existing landscape and lifestyle. This research also explores the possibilities of alternative and sustainable approaches for resilient urban development learned from Kuttanad as a case study.Keywords: ecological conservation, landscape and ecological engineering, landscape evolution, man-made landscapes
Procedia PDF Downloads 26617772 Assessment of Heavy Metal Bioaccumulation by Tissues of Ipomoea Batatas and Manihot Esculenta Irrigated with Water from Muhammad Ayuba Dam, Kazaure, Jigawa State, Nigeria
Authors: Sa’idu A. Abdullah, Jafar Lawan, A. U. Adamu, Fowotade, S. A., Hamisu Abdu
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Scarcity of quality water in many communities compels inhabitants to use any available water resources for domestic, recreational, industrial and agricultural purposes. Global concern on the potential health hazards of anthropogenic inputs into our ecosystems imposes the need for constant monitoring of levels of pollutants in order to ensure compliance with internationally acceptable criteria. In this research, assessment of bioaccumulation of Cd, Co, Cu, Pb and Zn was carried out using tissues of Ipomoea batatas (sweet potato) and Manihot esculenta (cassava) irrigated with water from Muhammad Ayuba Dam in Kazaure, Jigawa State. The metal concentrations were determined using Flame Atomic Absorption Spectrophotometer (FAAS). The result of the analysis revealed the presence of the metals in varying concentrations. Cd and Co showed higher concentrations in the tubers of Manihot esculenta but all the other investigated metals were more concentrated in the leaves of the plant. Cd and Cu on the other hand showed higher concentration in the root of Ipomoea batatas while the remaining investigated metals were concentrated more in the leaves of the plant. The result of analysis of water samples from five sampling stations in the Dam showed the presence of the metals as follows: Cd, (0.063±0.02 mg/L), Co (0.086±0.03 mg/L), Cu (0.167±0.08 mg/L), Pb (0.22±0.01 mg/L) and Zn (0.047±0.01 mg/L) respectively. The results of bioaccumulation studies using the Bioaccumulation Factors (BAF) index indicated Ipomoea batatas to have higher bioaccumulation potential for Cd, Co and Cu while Pb and Zn were more accumulated in Manihot esculenta. The levels of the metals in both the water samples and plant tissues were all below the WHO permissible limit. This is indicative that the inhabitants of the community under investigation are not at any health risk.Keywords: agriculture, bioaccumulation, heavy metal, plant tissues
Procedia PDF Downloads 38517771 Cationic Copolymer-Functionalized Nanodiamonds Stabilizes Silver Nanoparticles with Dual Antibacterial Activity and Lower Cytotoxicity
Authors: Weiwei Cao, Xiaodong Xing
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In order to effectively resolve the microbial pollution and contamination, synthetic nano-antibacterial materials are widely used in daily life. Among them, nanodiamonds (NDs) have recently been demonstrated to hold promise as useful materials in biomedical applications due to their high specific surface area and biocompatibility. In this work, the copolymer, poly(4-vinylpyridine-co-2-hydroxyethyl methacrylate) was applied for the surface functionalization of NDs to produce the quaternized poly(4-vinylpyridine-co-2-hydroxyethyl methacrylate)-functionalized NDs (QNDs). Then, QNDs were used as a substrate for silver nanoparticles (AgNPs) to produce a QND@Ag hybrid. The composition and morphology of the resultant nanostructures were confirmed by Fourier transform infrared spectra (FT-IR), transmission electron microscope (TEM), X-ray diffraction (XRD), and thermogravimetric analysis (TGA). The mass fraction of AgNPs in the nanocomposites was about 35.7%. The antibacterial performances of the prepared nanocomposites were evaluated with Gram-negative Escherichia coli and Gram-positive Staphylococcus aureus by minimum inhibitory concentration (MIC), inhibition zone testing and time-kill study. As a result, due to the synergistic antibacterial activity of QND and AgNPs, this hybrid showed substantially higher antibacterial activity than QND and polyvinyl pyrrolidone (PVP)-stabilized AgNPs, and the AgNPs on QND@Ag were more stable than the Ag NPs on PVP, resulting in long-term antibacterial effects. More importantly, this hybrid showed excellent water solubility and low cytotoxicity, suggesting the great potential application in biomedical applications. The present work provided a simple strategy that successfully turned NDs into nanosized antibiotics with simultaneous superior stability and biocompatibility, which would broaden the applications of NDs and advance the development of novel antibacterial agents.Keywords: cationic copolymer, nanodiamonds, silver nanoparticles, dual antibacterial activity, lower cytotoxicity
Procedia PDF Downloads 13017770 Variability of Hydrological Modeling of the Blue Nile
Authors: Abeer Samy, Oliver C. Saavedra Valeriano, Abdelazim Negm
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The Blue Nile Basin is the most important tributary of the Nile River. Egypt and Sudan are almost dependent on water originated from the Blue Nile. This multi-dependency creates conflicts among the three countries Egypt, Sudan, and Ethiopia making the management of these conflicts as an international issue. Good assessment of the water resources of the Blue Nile is an important to help in managing such conflicts. Hydrological models are good tool for such assessment. This paper presents a critical review of the nature and variability of the climate and hydrology of the Blue Nile Basin as a first step of using hydrological modeling to assess the water resources of the Blue Nile. Many several attempts are done to develop basin-scale hydrological modeling on the Blue Nile. Lumped and semi distributed models used averages of meteorological inputs and watershed characteristics in hydrological simulation, to analyze runoff for flood control and water resource management. Distributed models include the temporal and spatial variability of catchment conditions and meteorological inputs to allow better representation of the hydrological process. The main challenge of all used models was to assess the water resources of the basin is the shortage of the data needed for models calibration and validation. It is recommended to use distributed model for their higher accuracy to cope with the great variability and complexity of the Blue Nile basin and to collect sufficient data to have more sophisticated and accurate hydrological modeling.Keywords: Blue Nile Basin, climate change, hydrological modeling, watershed
Procedia PDF Downloads 36617769 Using Biofunctool® Index to Assess Soil Quality after Eight Years of Conservation Agriculture in New Caledonia
Authors: Remy Kulagowski, Tobias Sturm, Audrey Leopold, Aurelie Metay, Josephine Peigne, Alexis Thoumazeau, Alain Brauman, Bruno Fogliani, Florent Tivet
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A major challenge for agriculture is to enhance productivity while limiting the impact on the environment. Conservation agriculture (CA) is one strategy whereby both sustainability and productivity can be achieved by preserving and improving the soil quality. Soils provide and regulate a large number of ecosystem services (ES) such as agricultural productivity and climate change adaptation and mitigation. The aim of this study is to assess the impacts of contrasted CA crop management on soil functions for maize (Zea mays L.) cultivation in an eight years field experiment (2010-2018). The study included two CA practices: direct seeding in dead mulch (DM) and living mulch (LM), and conventional plough-based tillage (CT) practices on a fluvisol in New Caledonia (French Archipelago in the South Pacific). In 2018, soil quality of the cropping systems were evaluated with the Biofunctool® set of indicators, that consists in twelve integrative, in-field, and low-tech indicators assessing the biological, physical and chemical properties of soils. Main soil functions were evaluated including (i) carbon transformation, (ii) structure maintenance, and (iii) nutrient cycling in the ten first soil centimeters. The results showed significant higher score for soil structure maintenance (e.g., aggregate stability, water infiltration) and carbon transformation function (e.g., soil respiration, labile carbon) under CA in DM and LM when compared with CT. Score of carbon transformation index was higher in DM compared with LM. However, no significant effect of cropping systems was observed on nutrient cycling (i.e., nitrogen and phosphorus). In conclusion, the aggregated synthetic scores of soil multi-functions evaluated with Biofunctool® demonstrate that CA cropping systems lead to a better soil functioning. Further analysis of the results with agronomic performance of the soil-crop systems would allow to better understand the links between soil functioning and production ES of CA.Keywords: conservation agriculture, cropping systems, ecosystem services, soil functions
Procedia PDF Downloads 15717768 Optimization of Process Parameters using Response Surface Methodology for the Removal of Zinc(II) by Solvent Extraction
Authors: B. Guezzen, M.A. Didi, B. Medjahed
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A factorial design of experiments and a response surface methodology were implemented to investigate the liquid-liquid extraction process of zinc (II) from acetate medium using the 1-Butyl-imidazolium di(2-ethylhexyl) phosphate [BIm+][D2EHP-]. The optimization process of extraction parameters such as the initial pH effect (2.5, 4.5, and 6.6), ionic liquid concentration (1, 5.5, and 10 mM) and salt effect (0.01, 5, and 10 mM) was carried out using a three-level full factorial design (33). The results of the factorial design demonstrate that all these factors are statistically significant, including the square effects of pH and ionic liquid concentration. The results showed that the order of significance: IL concentration > salt effect > initial pH. Analysis of variance (ANOVA) showing high coefficient of determination (R2 = 0.91) and low probability values (P < 0.05) signifies the validity of the predicted second-order quadratic model for Zn (II) extraction. The optimum conditions for the extraction of zinc (II) at the constant temperature (20 °C), initial Zn (II) concentration (1mM) and A/O ratio of unity were: initial pH (4.8), extractant concentration (9.9 mM), and NaCl concentration (8.2 mM). At the optimized condition, the metal ion could be quantitatively extracted.Keywords: ionic liquid, response surface methodology, solvent extraction, zinc acetate
Procedia PDF Downloads 37417767 Nursery Treatments May Improve Restoration Outcomes by Reducing Seedling Transplant Shock
Authors: Douglas E. Mainhart, Alejandro Fierro-Cabo, Bradley Christoffersen, Charlotte Reemts
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Semi-arid ecosystems across the globe have faced land conversion for agriculture and resource extraction activities, posing a threat to the important ecosystem services they provide. Revegetation-centered restoration efforts in these regions face low success rates due to limited soil water availability and high temperatures leading to elevated seedling mortality after planting. Typical methods to alleviate these stresses require costly post-planting interventions aimed at improving soil moisture status. We set out to evaluate the efficacy of applying in-nursery treatments to address transplant shock. Four native Tamaulipan thornscrub species were compared. Three treatments were applied: elevated CO2, drought hardening (four-week exposure each), and antitranspirant foliar spray (the day prior to planting). Our goal was to answer two primary questions: (1) Do treatments improve survival and growth of seedlings in the early period post-planting? (2) If so, what underlying physiological changes are associated with this improved performance? To this end, we measured leaf gas exchange (stomatal conductance, light saturated photosynthetic rate, water use efficiency), leaf morphology (specific leaf area), and osmolality before and upon the conclusion of treatments. A subset of seedlings from all treatments have been planted, which will be monitored in coming months for in-field survival and growth.First month field survival for all treatment groups were high due to ample rainfall following planting (>85%). Growth data was unreliable due to high herbivory (68% of all sampled plants). While elevated CO2 had infrequent or no detectable influence on all aspects of leaf gas exchange, drought hardening reduced stomatal conductance in three of the four species measured without negatively impacting photosynthesis. Both CO2 and drought hardening elevated leaf osmolality in two species. Antitranspirant application significantly reduced conductance in all species for up to four days and reduced photosynthesis in two species. Antitranspirants also increased the variability of water use efficiency compared to controls. Collectively, these results suggest that antitranspirants and drought hardening are viable treatments for reducing short-term water loss during the transplant shock period. Elevated CO2, while not effective at reducing water loss, may be useful for promoting more favorable water status via osmotic adjustment. These practices could improve restoration outcomes in Tamaulipan thornscrub and other semi-arid systems. Further research should focus on evaluating combinations of these treatments and their species-specific viability.Keywords: conservation, drought conditioning, semi-arid restoration, plant physiology
Procedia PDF Downloads 8617766 The Effect of Super-Plasticizer and Ultra-sonic Process on the Carbon Nano Tubes Dispersion in Combination with Nano Silica in Cement Composites to Enhance Its Mechanical Properties
Authors: M.S. El-Feky, Passant Youssef, Mohamed I. Serag
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nowadays, nanotechnology is the main trend of research in different areas due to the new potential of using nanometer materials sized less than 100nm. Nanomaterials are needed in cement composites to act as bridging for Nano and micro-cracks to increase tensile strength, reduce the permeability of gases and water in concrete to solve corrosion problem, react with excess Calcium Hydroxide, produce additional C-S-H, act as filler materials to densify the cement matrix and increase its mechanical properties. The present study focuses on the effectiveness of super-plasticizers and ultrasonic processing on the dispersion of Carbon Nanotube at first in water and then in cement composites in combination with Nano silica to enhance the mechanical properties of cement composites. A qualitative analysis using a compressive strength test is conducted with a view to investigate the influence of different dispersion techniques on the mechanical properties of cement composites containing Carbon Nanotube (CNT) and Nano Silica (NS) particles with different percentages. In addition, micro-structural analysis was carried out to understand the surface morphology and microstructure of cement composites with different dosages of NS addition. The investigational study results showed that the combination of NS with a low amount of CNT had a positive effect on the hydration reaction; on the other hand, the combination of CNT and a high amount of NS had a negative effect on the hydration reaction. The compressive strength can be improved by optimum combination 0.02% CNT and 1% NS with gain in strength by 72% and 35% after 7 and 28 days compared to control samples; these results were with an agreement with the morphology structure of composites using microstructure analysis.Keywords: nano silica, dispersion, sonication, carbon nano tubes
Procedia PDF Downloads 14617765 Infrastructure Development – Stages in Development
Authors: Seppo Sirkemaa
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Information systems infrastructure is the basis of business systems and processes in the company. It should be a reliable platform for business processes and activities but also have the flexibility to change business needs. The development of an infrastructure that is robust, reliable, and flexible is a challenge. Understanding technological capabilities and business needs is a key element in the development of successful information systems infrastructure.Keywords: development, information technology, networks, technology
Procedia PDF Downloads 11817764 Development of Highly Repellent Silica Nanoparticles Treatment for Protection of Bio-Based Insulation Composite Material
Authors: Nadia Sid, Alan Taylor, Marion Bourebrab
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The construction sector is on the critical path to decarbonise the European economy by 2050. In order to achieve this objective it must enable reducing its CO2 emission by 90% and its energy consumption by as much as 50%. For this reason, a new class of low environmental impact construction materials named “eco-material” are becoming increasingly important in the struggle against climate change. A European funded collaborative project ISOBIO coordinated by TWI is aimed at taking a radical approach to the use of bio-based aggregates to create novel construction materials that are usable in high volume in using traditional methods, as well as developing markets such as exterior insulation of existing house stocks. The approach taken for this project is to use finely chopped material protected from bio-degradation through the use of functionalized silica nanoparticles. TWI is exploring the development of novel inorganic-organic hybrid nano-materials, to be applied as a surface treatment onto bio-based aggregates. These nanoparticles are synthesized by sol-gel processing and then functionalised with silanes to impart multifunctionality e.g. hydrophobicity, fire resistance and chemical bonding between the silica nanoparticles and the bio-based aggregates. This talk will illustrate the approach taken by TWI to design the functionalized silica nanoparticles by using a material-by-design approach. The formulation and synthesize process will be presented together with the challenges addressed by those hybrid nano-materials. The results obtained with regards to the water repellence and fire resistance will be displayed together with preliminary public results of the ISOBIO project. (This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 641927).Keywords: bio-sourced material, composite material, durable insulation panel, water repellent material
Procedia PDF Downloads 23717763 Microwave Assisted Synthesis of Ag/ZnO Sub-Microparticles Deposited on Various Cellulose Surfaces
Authors: Lukas Munster, Pavel Bazant, Ivo Kuritka
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Zinc oxide sub-micro particles and metallic silver nano particles (Ag/ZnO) were deposited on micro crystalline cellulose surface by a fast, simple and environmentally friendly one-pot microwave assisted solvo thermal synthesis in an open vessel system equipped with an external reflux cooler. In order to increase the interaction between the surface of cellulose and the precipitated Ag/ZnO particles, oxidized form of cellulose (cellulose dialdehyde, DAC) prepared by periodate oxidation of micro crystalline cellulose was added to the reaction mixture of Ag/ZnO particle precursors and untreated micro crystalline cellulose. The structure and morphology of prepared hybrid powder materials were analysed by X-ray diffraction (XRD), energy dispersive analysis (EDX), scanning electron microscopy (SEM) and nitrogen absorption method (BET). Microscopic analysis of the prepared materials treated by ultra-sonication showed that Ag/ZnO particles deposited on the cellulose/DAC sample exhibit increased adhesion to the surface of the cellulose substrate which can be explained by the DAC adhesive effect in comparison with the material prepared without DAC addition.Keywords: microcrystalline cellulose, microwave synthesis, silver nanoparticles, zinc oxide sub-microparticles, cellulose dialdehyde
Procedia PDF Downloads 47817762 Typology of the Physic-Chemical Quality of the Water of the Area of Touggourt Case: Aquifers of the Intercalary Continental and the Terminal Complex, S-E of Algeria
Authors: Habes Sameh, Bettahar Asma, Nezli Imad Eddine
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The region of Touggourt is situated in the southern part is Algeria, it receives important quantities of waters, the latter are extracted from the fossil groundwater (the Intercalary Continental and the Terminal Complex). The mineralization of these waters of the Terminal Complex is between 3 and 6,5 g/l and for waters of Intercalary Continental is 1,8 and 8,7 g/l, thus it constitutes an obstacle as for its use. To highlight the origins of this mineralization, we used the hydrochemical tool. So the chemical analyses in our ownership, were treated by means of the software "Statistica", what allowed us to realize an analysis in main components (ACP), the latter showed a competition between sodic or magnesian chlorinated water and calcic bicarbonate water, rich in potassium for the TC, while for the IC, we have a competition between sodic or calcic chlorinated and magnesian water treated with copper sulphate waters. The simulation realized thermodynamics showed a variation of the index of saturation which do not exceed zero, for waters of two aquifer TC and IC, so indicating one under saturation of waters towards minerals, highlighting the influence of the geologic formation in the outcrop on the quality of waters. However, we notice that these waters remain acceptable for the irrigation of plants but must be treated before what are consumed by the human being.Keywords: ACP, intercalary, continental, mineralization, SI, Terminal Complex
Procedia PDF Downloads 52817761 Nickel Oxide-Nitrogen-Doped Carbon (Ni/NiOx/NC) Derived from Pyrolysis of 2-Aminoterephthalic Acid for Electrocatalytic Oxidation of Ammonia
Authors: Yu-Jen Shih, Juan-Zhang Lou
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Nitrogenous compounds, such as NH4+/NH3 and NO3-, have become important contaminants in water resources. Excessive concentration of NH3 leads to eutrophication, which poses a threat to aquatic organisms in the environment. Electrochemical oxidation emerged as a promising water treatment technology, offering advantages such as simplicity, small-scale operation, and minimal reliance on additional chemicals. In this study, a nickel-based metal-organic framework (Ni-MOF) was synthesized using 2-amino terephthalic acid (BDC-NH2) and nickel nitrate. The Ni-MOF was further carbonized as derived nickel oxide and nitrogen-carbon composite, Ni/NiOx/NC. The nickel oxide within the 2D porous carbon texture served as active sites for ammonia oxidation. Results of characterization showed that the Ni-MOF was a hexagonal and flaky nanoparticle. With increasing carbonization temperature, the nickel ions in the organic framework re-crystallized as NiO clusters on the surfaces of the 2D carbon. The electrochemical surface area of Ni/NiOx/NC significantly increased as to improve the efficiency of ammonia oxidation. The phase transition of Ni(OH)2⇌NiOOH at around +0.8 V was the primary mediator of electron transfer. Batch electrolysis was conducted under constant current and constant potential modes. The electrolysis parameters included pyrolysis temperatures, pH, current density, initial feed concentration, and electrode potential. The constant current batch experiments indicated that via carbonization at 800 °C, Ni/NiOx/NC(800) was able to decrease the ammonium nitrogen of 50 mg-N/L to below 1 ppm within 4 hours at a current density of 3 mA/cm2 and pH 11 with negligible oxygenated nitrogen formation. The constant potential experiments confirmed that N2 nitrogen selectivity was enhanced up to 90% at +0.8 V.Keywords: electrochemical oxidation, nickel oxyhydroxide, metal-organic framework, ammonium, nitrate
Procedia PDF Downloads 6517760 The Aspect of the Digital Formation in the Solar Community as One Prototype to Find the Algorithmic Sustainable Conditions in the Global Environment
Authors: Kunihisa Kakumoto
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Purpose: The global environmental problem is now raised in the global dimension. The sprawl phenomenon over the natural limitation is to be made a forecast beforehand in an algorithmic way so that the condition of our social life can hopefully be protected under the natural limitation. The sustainable condition in the globe is now to be found to keep the balance between the capacity of nature and the possibility of our social lives. The amount of water on the earth is limited. Therefore, on the reason, sustainable conditions are strongly dependent on the capacity of water. The amount of water can be considered in relation to the area of the green planting because a certain volume of the water can be obtained in the forest, where the green planting can be preserved. We can find the sustainable conditions of the water in relation to the green planting area. The reduction of CO₂ by green planting is also possible. Possible Measure and the Methods: Until now, by the opportunity of many international conferences, the concept of the solar community as one prototype has been introduced by technical papers. The algorithmic trial calculation on the basic concept of the solar community can be taken into consideration. The concept of the solar community is based on the collected data of the solar model house. According to the algorithmic results of the prototype, the simulation work in the globe can be performed as the algorithmic conversion results. This algorithmic study can be simulated by the amount of water, also in relation to the green planting area. Additionally, the submission of CO₂ in the solar community and the reduction of CO₂ by green planting can be calculated. On the base of these calculations in the solar community, the sustainable conditions on the globe can be simulated as the conversion results in an algorithmic way. The digital formation in the solar community can also be taken into consideration by this opportunity. Conclusion: For the finding of sustainable conditions around the globe, the solar community as one prototype has been taken into consideration. The role of the water is very important because the capacity of the water supply is very limited. But, at present, the cycle of the social community is not composed by the point of the natural mechanism. The simulative calculation of this study can be shown by the limitation of the total water supply. According to this process, the total capacity of the water supply and the capable residential number of the population and the areas can be taken into consideration by the algorithmic calculation. For keeping enough water, the green planting areas are very important. The planting area is also very important to keep the balance of CO₂. The simulative calculation can be performed by the relation between the submission and the reduction of CO₂ in the solar community. For the finding of this total balance and the sustainable conditions, the green planting area and the total amount of water can be recognized by the algorithmic simulative calculation. The study for the finding of sustainable conditions can be performed by the simulative calculations on the algorithmic model in the solar community as one prototype. The example of one prototype can be in balance. The activity of the social life must be in the capacity of the natural mechanism. The capable capacity of the natural environment in our world is very limited.Keywords: the solar community, the sustainable condition, the natural limitation, the algorithmic calculation
Procedia PDF Downloads 11017759 The Evaluation of Gravity Anomalies Based on Global Models by Land Gravity Data
Authors: M. Yilmaz, I. Yilmaz, M. Uysal
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The Earth system generates different phenomena that are observable at the surface of the Earth such as mass deformations and displacements leading to plate tectonics, earthquakes, and volcanism. The dynamic processes associated with the interior, surface, and atmosphere of the Earth affect the three pillars of geodesy: shape of the Earth, its gravity field, and its rotation. Geodesy establishes a characteristic structure in order to define, monitor, and predict of the whole Earth system. The traditional and new instruments, observables, and techniques in geodesy are related to the gravity field. Therefore, the geodesy monitors the gravity field and its temporal variability in order to transform the geodetic observations made on the physical surface of the Earth into the geometrical surface in which positions are mathematically defined. In this paper, the main components of the gravity field modeling, (Free-air and Bouguer) gravity anomalies are calculated via recent global models (EGM2008, EIGEN6C4, and GECO) over a selected study area. The model-based gravity anomalies are compared with the corresponding terrestrial gravity data in terms of standard deviation (SD) and root mean square error (RMSE) for determining the best fit global model in the study area at a regional scale in Turkey. The least SD (13.63 mGal) and RMSE (15.71 mGal) were obtained by EGM2008 for the Free-air gravity anomaly residuals. For the Bouguer gravity anomaly residuals, EIGEN6C4 provides the least SD (8.05 mGal) and RMSE (8.12 mGal). The results indicated that EIGEN6C4 can be a useful tool for modeling the gravity field of the Earth over the study area.Keywords: free-air gravity anomaly, Bouguer gravity anomaly, global model, land gravity
Procedia PDF Downloads 16917758 An Examination of the Factors Affecting the Adoption of Cloud Enterprise Resource Planning Systems in Egyptian Companies
Authors: Mayar A. Omar, Ismail Gomaa, Heba Badawy, Hosam Moubarak
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Enterprise resource planning (ERP) is an integrated system that helps companies in managing their resources. There are two types of ERP systems, traditional ERP systems and cloud ERP systems. Cloud ERP systems were introduced after the development of cloud computing technology. This research aims to identify the factors that affect the adoption of cloud ERP in Egyptian companies. Moreover, the aim of our study is to provide guidance to Egyptian companies in the cloud ERP adoption decision and to participate in increasing the number of cloud ERP studies that are conducted in the Middle East and in developing countries. There are many factors influencing the adoption of cloud ERP in Egyptian organizations, which are discussed and explained in the research. Those factors are examined by combining the diffusion of innovation theory (DOI) and technology-organization-environment framework (TOE). Data were collected through a survey that was developed using constructs from the existing studies of cloud computing and cloud ERP technologies and was then modified to fit our research. The analysis of the data was based on structural equation modeling (SEM) using Smart PLS software that was used for the empirical analysis of the research model.Keywords: cloud computing, cloud ERP systems, DOI, Egypt, SEM, TOE
Procedia PDF Downloads 13717757 Groundwater Treatment of Thailand's Mae Moh Lignite Mine
Authors: A. Laksanayothin, W. Ariyawong
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Mae Moh Lignite Mine is the largest open-pit mine in Thailand. The mine serves coal to the power plant about 16 million tons per year. This amount of coal can produce electricity accounting for about 10% of Nation’s electric power generation. The mining area of Mae Moh Mine is about 28 km2. At present, the deepest area of the pit is about 280 m from ground level (+40 m. MSL) and in the future the depth of the pit can reach 520 m from ground level (-200 m.MSL). As the size of the pit is quite large, the stability of the pit is seriously important. Furthermore, the preliminary drilling and extended drilling in year 1989-1996 had found high pressure aquifer under the pit. As a result, the pressure of the underground water has to be released in order to control mine pit stability. The study by the consulting experts later found that 3-5 million m3 per year of the underground water is needed to be de-watered for the safety of mining. However, the quality of this discharged water should meet the standard. Therefore, the ground water treatment facility has been implemented, aiming to reduce the amount of naturally contaminated Arsenic (As) in discharged water lower than the standard limit of 10 ppb. The treatment system consists of coagulation and filtration process. The main components include rapid mixing tanks, slow mixing tanks, sedimentation tank, thickener tank and sludge drying bed. The treatment process uses 40% FeCl3 as a coagulant. The FeCl3 will adsorb with As(V), forming floc particles and separating from the water as precipitate. After that, the sludge is dried in the sand bed and then be disposed in the secured land fill. Since 2011, the treatment plant of 12,000 m3/day has been efficiently operated. The average removal efficiency of the process is about 95%.Keywords: arsenic, coagulant, ferric chloride, groundwater, lignite, coal mine
Procedia PDF Downloads 31017756 Synthesis and Characterization of AFe₂O₄ (A=CA, Co, CU) Nano-Spinels: Application to Hydrogen Photochemical Production under Visible Light Irradiation
Authors: H. Medjadji, A. Boulahouache, N. Salhi, A. Boudjemaa, M. Trari
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Hydrogen from renewable sources, such as solar, is referred to as green hydrogen. The splitting water process using semiconductors, such as photocatalysts, has attracted significant attention due to its potential application for solving the energy crisis and environmental pollution. Spinel ferrites of the MF₂O₄ type have shown broad interest in diverse energy conversion processes, including fuel cells and photo electrocatalytic water splitting. This work focuses on preparing nano-spinels based on iron AFe₂O₄ (A= Ca, Co, and Cu) as photocatalysts using the nitrate method. These materials were characterized both physically and optically and subsequently tested for hydrogen generation under visible light irradiation. Various techniques were used to investigate the properties of the materials, including TGA-DT, X-ray diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), UV-visible spectroscopy, Scanning Electron Microscopy with Energy Dispersive X-ray Spectroscopy (SEM-EDX) and X-ray Photoelectron Spectroscopy (XPS) was also undertaken. XRD analysis confirmed the formation of pure phases at 850°C, with crystalline sizes of 31 nm for CaFe₂O₄, 27 nm for CoFe₂O₄, and 40 nm for CuFe₂O₄. The energy gaps, calculated from recorded diffuse reflection data, are 1.85 eV for CaFe₂O₄, 1.27 eV for CoFe₂O₄, and 1.64 eV for CuFe₂O₄. SEM micrographs showed homogeneous grains with uniform shapes and medium porosity in all samples. EDX elemental analysis determined the absence of any contaminating elements, highlighting the high purity of the prepared materials via the nitrate route. XPS spectra revealed the presence of Fe3+ and O in all samples. Additionally, XPS analysis revealed the presence of Ca²⁺, Co²⁺, and Cu²⁺ on the surface of CaFe₂O₄ and CoFe₂O₄ spinels, respectively. The photocatalytic activity was successfully evaluated by measuring H₂ evolution through the water-splitting process. The best performance was achieved with CaFe₂O₄ in a neutral medium (pH ~ 7), yielding 189 µmol at an optimal temperature of ~50°C. The highest hydrogen production rates for CoFe₂O₄ and CuFe₂O₄ were obtained at pH ~ 12 with release rates of 65 and 85 µmol, respectively, under visible light irradiation at the same optimal temperature. Various conditions were investigated including the pH of the solution, the hole sensors utilization and recyclability.Keywords: hydrogen, MFe₂O₄, nitrate route, spinel ferrite
Procedia PDF Downloads 3917755 The Effects of Alkalization to the Mechanical Properties of Biocomposite PLA reinforced the Ijuk Fibers
Authors: Mochamad Chalid, Imam Prabowo
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The pollution due to non-degradable material such as plastics, has led to studies about the development of environmental-friendly material. Because of biodegradability obtained from natural sources, polylactid acid (PLA) and ijuk fiber are interesting to modify into a composite. This material is also expected to reduce the impact of environmental pollution. Surface modification of ijuk fiber through alkalinization with 0.25 M NaOH solution for 30 minutes, was aimed to enhance it’s compatibility to PLA, in order to improve properties of the composite such as the mechanical properties. Alkalinization of the ijuk fibers annihilates some surface components such as lignin, wax and hemicelloluse, so the pore on the surface clearly appeared, decreasing of the density and diameter of the ijuk fibers. The change of the ijuk fiber properties leads to increase the mechanical properties of PLA composites reinforced the ijuk fibers through strengthening of the mechanical interlocking with the PLA matrix. An addition to enhance the distribution of the fibers in the PLA matrix, the stirring during DCM solvent evaporation from the mixture of the ijuk fibers and the dissolved-PLA can reduce amount of the trapped-voids and fibers pull-out phenomena, which can decrease the mechanical properties of the composite.Keywords: polylactic acid, Arenga pinnata, alkalinization, compatibility, adhesion, morphology, mechanical properties, volume fraction, distributiom
Procedia PDF Downloads 37017754 Surface Characterization and Femtosecond-Nanosecond Transient Absorption Dynamics of Bioconjugated Gold Nanoparticles: Insight into the Warfarin Drug-Binding Site of Human Serum Albumin
Authors: Osama K. Abou-Zied, Saba A. Sulaiman
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We studied the spectroscopy of 25-nm diameter gold nanoparticles (AuNPs), coated with human serum albumin (HSA) as a model drug carrier. The morphology and coating of the AuNPs were examined using transmission electron microscopy and dynamic light scattering. Resonance energy transfer from the sole tryptophan of HSA (Trp214) to the AuNPs was observed in which the fluorescence quenching of Trp214 is dominated by a static mechanism. Using fluorescein (FL) to probe the warfarin drug-binding site in HSA revealed the unchanged nature of the binding cavity on the surface of the AuNPs, indicating the stability of the protein structure on the metal surface. The transient absorption results of the surface plasmonic resonance (SPR) band of the AuNPs show three ultrafast dynamics that are involved in the relaxation process after excitation at 460 nm. The three decay components were assigned to the electron-electron (~ 400 fs), electron-phonon (~ 2.0 ps) and phonon-phonon (200–250 ps) interactions. These dynamics were not changed upon coating the AuNPs with HSA which indicates the chemical and physical stability of the AuNPs upon bioconjugation. Binding of FL in HSA did not have any measurable effect on the bleach recovery dynamics of the SPR band, although both FL and AuNPs were excited at 460 nm. The current study is important for a better understanding of the physical and dynamical properties of protein-coated metal nanoparticles which are expected to help in optimizing their properties for critical applications in nanomedicine.Keywords: gold nanoparticles, human serum albumin, fluorescein, femtosecond transient absorption
Procedia PDF Downloads 33217753 Scheduling Tasks in Embedded Systems Based on NoC Architecture
Authors: D. Dorota
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This paper presents a method to generate and schedule task in the architecture of embedded systems based on the simulated annealing. This method takes into account the attribute of divisibility of tasks. A proposal represents the process in the form of trees. Despite the fact that the architecture of Network-on-Chip (NoC) is an interesting alternative to a bus architecture based on multi-processors systems, it requires a lot of work that ensures the optimization of communication. This paper proposes an effective approach to generate dedicated NoC topology solving communication problems. Network NoC is generated taking into account the energy consumption and resource issues. Ultimately generated is minimal, dedicated NoC topology. The proposed solution is assumed to be a simple router design and the minimum number of lines.Keywords: Network-on-Chip, NoC-based embedded systems, scheduling task in embedded systems, simulated annealing
Procedia PDF Downloads 37717752 Thermal Contact Resistance of Nanoscale Rough Surfaces
Authors: Ravi Prasher
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In nanostructured material thermal transport is dominated by contact resistance. Theoretical models describing thermal transport at interfaces assume perfectly flat surface whereas in reality surfaces can be rough with roughness ranging from sub-nanoscale dimension to micron scale. Here we introduce a model which includes both nanoscale contact mechanics and nanoscale heat transfer for rough nanoscale surfaces. This comprehensive model accounts for the effect of phonon acoustic mismatch, mechanical properties, chemical properties and randomness of the rough surface.Keywords: adhesion and contact resistance, Kaptiza resistance of rough surfaces, nanoscale thermal transport
Procedia PDF Downloads 36917751 Stochastic Model Predictive Control for Linear Discrete-Time Systems with Random Dither Quantization
Authors: Tomoaki Hashimoto
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Recently, feedback control systems using random dither quantizers have been proposed for linear discrete-time systems. However, the constraints imposed on state and control variables have not yet been taken into account for the design of feedback control systems with random dither quantization. Model predictive control is a kind of optimal feedback control in which control performance over a finite future is optimized with a performance index that has a moving initial and terminal time. An important advantage of model predictive control is its ability to handle constraints imposed on state and control variables. Based on the model predictive control approach, the objective of this paper is to present a control method that satisfies probabilistic state constraints for linear discrete-time feedback control systems with random dither quantization. In other words, this paper provides a method for solving the optimal control problems subject to probabilistic state constraints for linear discrete-time feedback control systems with random dither quantization.Keywords: optimal control, stochastic systems, random dither, quantization
Procedia PDF Downloads 44517750 EverPro as the Missing Piece in the Plant Protein Portfolio to Aid the Transformation to Sustainable Food Systems
Authors: Aylin W Sahin, Alice Jaeger, Laura Nyhan, Gregory Belt, Steffen Münch, Elke K. Arendt
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Our current food systems cause an increase in malnutrition resulting in more people being overweight or obese in the Western World. Additionally, our natural resources are under enormous pressure and the greenhouse gas emission increases yearly with a significant contribution to climate change. Hence, transforming our food systems is of highest priority. Plant-based food products have a lower environmental impact compared to their animal-based counterpart, representing a more sustainable protein source. However, most plant-based protein ingredients, such as soy and pea, are lacking indispensable amino acids and extremely limited in their functionality and, thus, in their food application potential. They are known to have a low solubility in water and change their properties during processing. The low solubility displays the biggest challenge in the development of milk alternatives leading to inferior protein content and protein quality in dairy alternatives on the market. Moreover, plant-based protein ingredients often possess an off-flavour, which makes them less attractive to consumers. EverPro, a plant-protein isolate originated from Brewer’s Spent Grain, the most abundant by-product in the brewing industry, represents the missing piece in the plant protein portfolio. With a protein content of >85%, it is of high nutritional value, including all indispensable amino acids which allows closing the protein quality gap of plant proteins. Moreover, it possesses high techno-functional properties. It is fully soluble in water (101.7 ± 2.9%), has a high fat absorption capacity (182.4 ± 1.9%), and a foaming capacity which is superior to soy protein or pea protein. This makes EverPro suitable for a vast range of food applications. Furthermore, it does not cause changes in viscosity during heating and cooling of dispersions, such as beverages. Besides its outstanding nutritional and functional characteristics, the production of EverPro has a much lower environmental impact compared to dairy or other plant protein ingredients. Life cycle assessment analysis showed that EverPro has the lowest impact on global warming compared to soy protein isolate, pea protein isolate, whey protein isolate, and egg white powder. It also contributes significantly less to freshwater eutrophication, marine eutrophication and land use compared the protein sources mentioned above. EverPro is the prime example of sustainable ingredients, and the type of plant protein the food industry was waiting for: nutritious, multi-functional, and environmentally friendly.Keywords: plant-based protein, upcycled, brewers' spent grain, low environmental impact, highly functional ingredient
Procedia PDF Downloads 8017749 Experimental Study of Discharge with Sharp-Crested Weirs
Authors: E. Keramaris, V. Kanakoudis
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In this study the water flow in an open channel over a sharp-crested weir is investigated experimentally. For this reason a series of laboratory experiments were performed in an open channel with a sharp-crested weir. The maximum head expected over the weir, the total upstream water height and the downstream water height of the impact in the constant bed of the open channel were measured. The discharge was measured using a tank put right after the open channel. In addition, the discharge and the upstream velocity were also calculated using already known equations. The main finding is that the relative error percentage for the majority of the experimental measurements is ± 4%, meaning that the calculation of the discharge with a sharp-crested weir gives very good results compared to the numerical results from known equations.Keywords: sharp-crested weir, weir height, flow measurement, open channel flow
Procedia PDF Downloads 13917748 Plasma Spray Deposition of Bio-Active Coating on Titanium Alloy (Ti-6Al-4V) Substrate
Authors: Renu Kumari, Jyotsna Dutta Majumdar
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In the present study, composite coating consisting of hydroxyapatite (HA) + 50 wt% TiO2 has been developed on Ti-6Al-4V substrate by plasma spray deposition technique. Followed by plasma spray deposition, detailed surface roughness and microstructural characterization were carried out by using optical profilometer and scanning electron microscopy (SEM), respectively. The composition and phase analysis were carried out by energy-dispersive X-ray spectroscopy analysis, and X-ray diffraction (XRD) technique, respectively. The bio-activity behavior of the uncoated and coated samples was also compared by dipping test in Hank’s solution. The average surface roughness of the coating was 10 µm (as compared to 0.5 µm of as-received Ti-6Al-4V substrate) with the presence of porosities. The microstructure of the coating was found to be continuous with the presence of solidified splats. A detailed XRD analysis shows phase transformation of TiO2 from anatase to rutile, decomposition of hydroxyapatite, and formation of CaTiO3 phase. Standard dipping test confirmed a faster kinetics of deposition of calcium phosphate in the coated HA+50% wt.% TiO2 surface as compared to the as-received substrate.Keywords: titanium, plasma spraying, microstructure, bio-activity, TiO2, hydroxyapatite
Procedia PDF Downloads 32217747 Improvement of Ground Water Quality Index Using Citrus limetta
Authors: Rupas Kumar M., Saravana Kumar M., Amarendra Kumar S., Likhita Komal V., Sree Deepthi M.
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The demand for water is increasing at an alarming rate due to rapid urbanization and increase in population. Due to freshwater scarcity, Groundwater became the necessary source of potable water to major parts of the world. This problem of freshwater scarcity and groundwater dependency is very severe particularly in developing countries and overpopulated regions like India. The present study aimed at evaluating the Ground Water Quality Index (GWQI), which represents overall quality of water at certain location and time based on water quality parameters. To evaluate the GWQI, sixteen water quality parameters have been considered viz. colour, pH, electrical conductivity, total dissolved solids, turbidity, total hardness, alkalinity, calcium, magnesium, sodium, chloride, nitrate, sulphate, iron, manganese and fluorides. The groundwater samples are collected from Kadapa City in Andhra Pradesh, India and subjected to comprehensive physicochemical analysis. The high value of GWQI has been found to be mainly from higher values of total dissolved solids, electrical conductivity, turbidity, alkalinity, hardness, and fluorides. in the present study, citrus limetta (sweet lemon) peel powder has used as a coagulant and GWQI values are recorded in different concentrations to improve GWQI. Sensitivity analysis is also carried out to determine the effect of coagulant dosage, mixing speed and stirring time on GWQI. The research found the maximum percentage improvement in GWQI values are obtained when the coagulant dosage is 100ppm, mixing speed is 100 rpm and stirring time is 10 mins. Alum is also used as a coagulant aid and the optimal ratio of citrus limetta and alum is identified as 3:2 which resulted in best GWQI value. The present study proposes Citrus limetta peel powder as a potential natural coagulant to treat Groundwater and to improve GWQI.Keywords: alum, Citrus limetta, ground water quality index, physicochemical analysis
Procedia PDF Downloads 22717746 Fabrication of Carbon Nanoparticles and Graphene Using Pulsed Laser Ablation
Authors: Davoud Dorranian, Hajar Sadeghi, Elmira Solati
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Carbon nanostructures in various forms were synthesized using pulsed laser ablation of a graphite target in different liquid environment. The beam of a Q-switched Nd:YAG laser of 1064-nm wavelength at 7-ns pulse width is employed to irradiate the solid target in water, acetone, alcohol, and cetyltrimethylammonium bromide (CTAB). Then the effect of the liquid environment on the characteristic of carbon nanostructures produced by laser ablation was investigated. The optical properties of the carbon nanostructures were examined at room temperature by UV–Vis-NIR spectrophotometer. The crystalline structure of the carbon nanostructures was analyzed by X-ray diffraction (XRD). The morphology of samples was investigated by field emission scanning electron microscope (FE-SEM). Transmission electron microscope (TEM) was employed to investigate the form of carbon nanostructures. Raman spectroscopy was used to determine the quality of carbon nanostructures. Results show that different carbon nanostructures such as nanoparticles and few-layer graphene were formed in various liquid environments. The UV-Vis-NIR absorption spectra of samples reveal that the intensity of absorption peak of nanoparticles in alcohol is higher than the other liquid environments due to the larger number of nanoparticles in this environment. The red shift of the absorption peak of the sample in acetone confirms that produced carbon nanoparticles in this liquid are averagely larger than the other medium. The difference in the intensity and shape of the absorption peak indicated the effect of the liquid environment in producing the nanoparticles. The XRD pattern of the sample in water indicates an amorphous structure due to existence the graphene sheets. X-ray diffraction pattern shows that the degree of crystallinity of sample produced in CTAB is higher than the other liquid environments. Transmission electron microscopy images reveal that the generated carbon materials in water are graphene sheet and in the other liquid environments are graphene sheet and spherical nanostructures. According to the TEM images, we have the larger amount of carbon nanoparticles in the alcohol environment. FE-SEM micrographs indicate that in this liquids sheet like structures are formed however in acetone, produced sheets are adhered and these layers overlap with each other. According to the FE-SEM micrographs, the surface morphology of the sample in CTAB was coarser than that without surfactant. From Raman spectra, it can be concluded the distinct shape, width, and position of the graphene peaks and corresponding graphite source.Keywords: carbon nanostructures, graphene, pulsed laser ablation, graphite
Procedia PDF Downloads 31517745 Computational Insight into a Mechanistic Overview of Water Exchange Kinetics and Thermodynamic Stabilities of Bis and Tris-Aquated Complexes of Lanthanides
Authors: Niharika Keot, Manabendra Sarma
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A thorough investigation of Ln3+ complexes with more than one inner-sphere water molecule is crucial for designing high relaxivity contrast agents (CAs) used in magnetic resonance imaging (MRI). This study accomplished a comparative stability analysis of two hexadentate (H3cbda and H3dpaa) and two heptadentate (H4peada and H3tpaa) ligands with Ln3+ ions. The higher stability of the hexadentate H3cbda and heptadentate H4peada ligands has been confirmed by the binding affinity and Gibbs free energy analysis in aqueous solution. In addition, energy decomposition analysis (EDA) reveals the higher binding affinity of the peada4− ligand than the cbda3− ligand towards Ln3+ ions due to the higher charge density of the peada4− ligand. Moreover, a mechanistic overview of water exchange kinetics has been carried out based on the strength of the metal–water bond. The strength of the metal–water bond follows the trend Gd–O47 (w) > Gd–O39 (w) > Gd–O36 (w) in the case of the tris-aquated [Gd(cbda)(H2O)3] and Gd–O43 (w) > Gd–O40 (w) for the bis-aquated [Gd(peada)(H2O)2]− complex, which was confirmed by bond length, electron density (ρ), and electron localization function (ELF) at the corresponding bond critical points. Our analysis also predicts that the activation energy barrier decreases with the decrease in bond strength; hence kex increases. The 17O and 1H hyperfine coupling constant values of all the coordinated water molecules were different, calculated by using the second-order Douglas–Kroll–Hess (DKH2) approach. Furthermore, the ionic nature of the bonding in the metal–ligand (M–L) bond was confirmed by the Quantum Theory of Atoms-In-Molecules (QTAIM) and ELF along with energy decomposition analysis (EDA). We hope that the results can be used as a basis for the design of highly efficient Gd(III)-based high relaxivity MRI contrast agents for medical applications.Keywords: MRI contrast agents, lanthanide chemistry, thermodynamic stability, water exchange kinetics
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