Search results for: solar chemistry

Authors: Bai-Jing Peng, Shyh-Chyun Yang

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Organic reactions in water have recently attracted much attention, not only because unique reactivity is often observed in water but also because water is a safe and economical substitute for conventional organic solvents. Thus, development of environmental safe, atom-economical reactions in water is one of the most important goals of synthetic chemistry. The recent paper has documented renewed interest in the use of allylic substrates in the synthesis of new C−C, C−N, and C−O bonds. We have reported our attempts and some successful applications of a process involving the C-O bond cleavage catalyzed by palladium or platinum complexes in water. Because of the importance of heterocycle indole derivatives, much effort has been directed toward the development of methods for functionalization of the indole nucleus at N1 site. In our research, the palladium-catalyzed 2,3-disubstitued indoles with allylic alcohols was investigated under different conditions. Herein, we will establish a simple, convenient, and efficient method, which affords high yields of allylated indoles.

Keywords: palladium-catalyzed, allylic alcohols, indoles, water, allylation

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Authors: Assamen Ayalew Ejigu, Liang-Chiun Chao

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In recent semiconductor and nanotechnology, quality material synthesis, proper characterizations, and productions are the big challenges. As cuprous oxide (Cu2O) is a promising semiconductor material for photovoltaic (PV) and other optoelectronic applications, this study was aimed at to grow and characterize high quality Cu2O nanorods for the improvement of the efficiencies of thin film solar cells and other potential applications. In this study, well-structured cuprous oxide (Cu2O) nanorods were successfully fabricated using IBSD method in which the Cu2O samples were grown on silicon substrates with a substrate temperature of 400°C in an IBSD chamber of pressure of 4.5 x 10-5 torr using copper as a target material. Argon, and oxygen gases were used as a sputter and reactive gases, respectively. The characterization of the Cu2O nanorods (NRs) were done in comparison with Cu2O thin film (TF) deposited with the same method but with different Ar:O2 flow rates. With Ar:O2 ratio of 9:1 single phase pure polycrystalline Cu2O NRs with diameter of ~500 nm and length of ~4.5 µm were grow. Increasing the oxygen flow rates, pure single phase polycrystalline Cu2O thin film (TF) was found at Ar:O2 ratio of 6:1. The field emission electron microscope (FE-SEM) measurements showed that both samples have smooth morphologies. X-ray diffraction and Rama scattering measurements reveals the presence of single phase Cu2O in both samples. The differences in Raman scattering and photoluminescence (PL) bands of the two samples were also investigated and the results showed us there are differences in intensities, in number of bands and in band positions. Raman characterization shows that the Cu2O NRs sample has pronounced Raman band intensities, higher numbers of Raman bands than the Cu2O TF which has only one second overtone Raman signal at 2 (217 cm-1). The temperature dependent photoluminescence (PL) spectra measurements, showed that the defect luminescent band centered at 720 nm (1.72 eV) is the dominant one for the Cu2O NRs and the 640 nm (1.937 eV) band was the only PL band observed from the Cu2O TF. The difference in optical and structural properties of the samples comes from the oxygen flow rate change in the process window of the samples deposition. This gave us a roadmap for further investigation of the electrical and other optical properties for the tunable fabrication of the Cu2O nano/micro structured sample for the improvement of the efficiencies of thin film solar cells in addition to other potential applications. Finally, the novel morphologies, excellent structural and optical properties seen exhibits the grown Cu2O NRs sample has enough quality to be used in further research of the nano/micro structured semiconductor materials.

Keywords: defect levels, nanorods, photoluminescence, Raman modes

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Authors: Suzan Sami Ibrahim, Mohamed Gad Shahien, Ali Quarny Seliem, Mostafa Ragab Abukhadra

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Pegmatite quartz deposits of Marwit Rod El Leqah area classify as medium purity quartz with 99.575 % average SiO2 content and therefore do not match the requirements of high technical applications (99.8 % SiO2 for solar cells, 99.8% SiO2 for electronics). Petrographic field and petrographic investigations reveal that, the reduction of the silica content attributed mainly to impurities of iron oxide, muscovite, rutile, orthoclase, granitic rafts and fluid inclusions. Such impurities resulted in raising Fe2O3, Al2O3, MgO, CaO, K2O and Na2O relative to the silica content. Structural impurities are the main source of trace elements in the quartz samples.

Keywords: High purity quartz, High-tech applications, solid impurities, structural impurities

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Authors: Shahzad Yousaf, Imran Shafi

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This paper presents a new method for calculation of pressure loss coefficients by use of the artificial neural network (ANN) in tee junctions. Geometry and flow parameters are feed into ANN as the inputs for purpose of training the network. Efficacy of the network is demonstrated by comparison of the experimental and ANN based calculated data of pressure loss coefficients for combining flows in a tee junction. Reynolds numbers ranging from 200 to 14000 and discharge ratios varying from minimum to maximum flow for calculation of pressure loss coefficients have been used. Pressure loss coefficients calculated using ANN are compared to the models from literature used in junction flows. The results achieved after the application of ANN agrees reasonably to the experimental values.

Keywords: artificial neural networks, combining flow, pressure loss coefficients, solar collector tee junctions

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Authors: Chetna Tyagi, Ambuj Tripathi, Devesh Avasthi

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Graphene oxide consists of sp³ hybridization along with sp² hybridization due to the presence of different oxygen-containing functional groups on its edges and basal planes. However, its sp³ / sp² hybridization can be tuned by various methods to utilize it in different applications, like transistors, solar cells and biosensors. Ion beam irradiation can also be one of the methods to optimize sp² and sp³ hybridization ratio for its desirable properties. In this work, graphene oxide films were irradiated with 100 keV Argon ions at different fluences varying from 10¹³ to 10¹⁶ ions/cm². Synchrotron X-ray diffraction measurements showed an increase in crystallinity at the low fluence of 10¹³ ions/cm². Raman spectroscopy performed on irradiated samples determined the defects induced by the ion beam qualitatively. Also, identification of different groups and their removal with different fluences was done using Fourier infrared spectroscopy technique.

Keywords: graphene oxide, ion beam irradiation, spectroscopy, X-ray diffraction

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Authors: Rahma Tibigui, Ikram Hadj Said, Rachid Belkada, Dalila Hammoutene

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The vulnerability of industrial facilities is highly concerned with multiple risks from corrosion. The commonly adopted solution is based on the use of organic inhibitors, which are gradually being replaced by environmentally friendly organic inhibitors. In our work, we carried out a quantum chemical study based on the Density Functional Theory (DFT) method at the B3LYP/6-311G (d,p) level of theory. The inhibitory performance of a derivative of the tetrazole molecule has been investigated and reported as a carbon steel-friendly corrosion inhibitor in hydrochloric acid (HCl) medium. The relationship is likely to exist between the molecular structure of this compound as well as its various global reactivity descriptors, and its corrosion inhibition efficiency, which was examined and then discussed. The results show low values of ΔE, which represent strong adsorption of the inhibitor on the steel surface. Moreover, the flat adsorption orientation confirmed the great ability to donate (accept) electrons to (from) steel, fabricating an anchored barrier to prevent steel from corrosion.

Keywords: eco-friendly, corrosion inhibitors, tetrazole, DFT

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Authors: Iman Janghorban Esfahani

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Due to the increased use of irrigation in agriculture, the importance and need for highly reliable water pumping systems have significantly increased. The pumping of the groundwater is essential to provide water for both drip and furrow irrigation to increase the agricultural yield, especially in arid regions that suffer from scarcities of surface water. The most common irrigation pumping systems (IPS) consume conventional energies through the use of electric motors and generators or connecting to the electricity grid. Due to the shortage and transportation difficulties of fossil fuels, and unreliable access to the electricity grid, especially in the rural areas, and the adverse environmental impacts of fossil fuel usage, such as greenhouse gas (GHG) emissions, the need for renewable energy sources such as photovoltaic systems (PVS) as an alternative way of powering irrigation pumping systems is urgent. Integration of the photovoltaic systems with irrigation pumping systems as the Photovoltaic Powered-Irrigation Pumping System (PVP-IPS) can avoid fossil fuel dependency and the subsequent greenhouse gas emissions, as well as ultimately lower energy costs and improve efficiency, which made PVP-IPS systems as an environmentally and economically efficient solution for agriculture irrigation in every region. The greatest problem faced by integration of PVP with IPS systems is matching the intermittence of the energy supply with the dynamic water demand. The best solution to overcome the intermittence is to incorporate a storage system into the PVP-IPS to provide water-on-demand as a highly reliable stand-alone irrigation pumping system. The water storage tank (WST) is the most common storage device for PVP-IPS systems. In the integrated PVP-IPS with a water storage tank (PVP-IPS-WST), a water storage tank stores the water pumped by the IPS in excess of the water demand and then delivers it when demands are high. The Freshwater pinch analysis (FWaPA) as an alternative to mathematical modeling was used by other researchers for retrofitting the off-grid battery less photovoltaic-powered reverse osmosis system. However, the Freshwater pinch analysis has not been used to integrate the photovoltaic systems with irrigation pumping system with water storage tanks. In this study, FWaPA graphical and numerical tools were used for retrofitting an existing PVP-IPS system located in Salahadin, Republic of Iraq. The plant includes a 5 kW submersible water pump and 7.5 kW solar PV system. The Freshwater Composite Curve as the graphical tool and Freashwater Storage Cascade Table as the numerical tool were constructed to determine the minimum required outsourced water during operation, optimal amount of delivered electricity to the water pump, and optimal size of the water storage tank for one-year operation data. The results of implementing the FWaPA on the case study show that the PVP-IPS system with a WST as the reliable system can reduce outsourced water by 95.41% compare to the PVP-IPS system without storage tank.

Keywords: irrigation, photovoltaic, pinch analysis, pumping, solar energy

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Authors: Gilbert O. Osayemwenre, Meyer L. Edson

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Ethylene vinyl acetate (EVA) encapsulation degradation affects the performance of photovoltaic (PV) module. Hotspot formation causes the EVA encapsulation to undergo photothermal deterioration and molecular breakdown by UV radiation. This leads to diffusion of chemical particles into other layers. During outdoor deployment, the EVA encapsulation in the affect region loses its adhesive strength, when this happen the affected region layer undergoes rapid delamination. The presence of photo-thermal degradation is detrimental to PV modules as it causes both optical and thermal degradation. Also, it enables the encapsulant to be more susceptible to chemicals substance and moisture. Our findings show a high concentration of Sodium, Phosphorus and Aluminium which originate from the glass substrate, cell emitter and back contact respectively.

Keywords: ethylene vinyl acetate (EVA), encapsulation, photo-thermal degradation, thermogravimetric analysis (TGA), scanning probe microscope (SPM)

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Authors: Zohreh Derikvand

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Nanoreactors Zr-MCM-41were prepared via the reaction of ZrOCl2, Fumed silica, sodium hydroxide and cethyltrimethyl ammonium bromide under hydrothermal condition. The prepared nanoreactors were characterized by FT-IR spectroscopy, X-ray diffraction (XRD), Scanning electron micrographs (SEM) and nitrogen adsorption-desorption. The XRD pattern of Zr-MCM-41 exhibits a high-intensity (100) and two low-intensity reflections (110 and 200) which are characteristic of hexagonal structure, exhibiting the long-range order and good textural uniformity of mesoporous structure. Based on the green chemistry approach, we report an efficient and environmentally benign protocol to study the catalytic activity of Zr-MCM-41 in the Biginelli type reactions initially. Nanoreactors Zr-MCM-41 were used as highly recoverable and reusable catalyst for synthesis of 3,4-dihydropyrimidin-2(1H)-one, octahydroquinazolinone, benzimidazolo-quinazolineone and 4,6-diarylpyrimidin-2(1H)-one. The methodology offers several advantages such as short reaction time, high yields and simple operation. The catalyst was active up to three cycles.

Keywords: Zr-MCM-41 nanoreactors, Biginelli like reactions, 3, 4-dihydropyrimidin-2(1H)-ones, ctahydroquinazolinones

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Authors: N. Soli, B. Chaouachi, M. Bourouis

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We propose in this work the thermodynamic feasibility study of the operation of a refrigerating machine with absorption-diffusion with mixtures of hydrocarbons. It is for a refrigerating machine of low power (300 W) functioning on a level of temperature of the generator lower than 150 °C (fossil energy or solar energy) and operative with non-harmful fluids for the environment. According to this study, we determined to start from the digraphs of Oldham of the different binary of hydrocarbons, the minimal and maximum temperature of operation of the generator, as well as possible enrichment. The cooling medium in the condenser and absorber is done by the ambient air with a temperature at 35 °C. Helium is used as inert gas. The total pressure in the cycle is about 17.5 bars. We used suitable software to modulate for the two binary following the system propylene /butane and propylene/pentane. Our model is validated by comparison with the literature’s resultants.

Keywords: absorption, DAR cycle, diffusion, propyléne

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Authors: Reza Dehghani Bidgoli

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Although Artemisia species are one of the most important medicinal plants, there are a few reports on chemistry or activity of their essential oils because of low amounts of the oils in this genus. In this study, chemical composition of essential oils leaves and stems of Artemisia sieberi and Artemisia aucheri growing wild in Kashan rangelands, central Iran, have been analyzed using GC–MS technique. Analysis revealed 50 identified compounds, representing 96.55% of the oil and 23 identified compounds representing 97.83% of the oil on Artemisia sieberi and Artemisia aucheri respectively. The yield of essential oil extraction is very higher than those of previous reports. In both plants α-thujene is the main component in both of them, with an extra value, 74.42%, in aucheri species. Several compounds (some with significant compositions), were found in these varieties of Artemisia which are not recorded in previous literature. Antioxidant activities of the essential oils were evaluated for the first time in this research work using β-carotene/linoleic acid assay and found to be surprisingly attributed directly to α-pinene contents in them.

Keywords: essential oil, artemisia aucheri, artemisia sieberi, α-thujene, antioxidant activity

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Authors: Qiying Zhang, Panpan Xu, Hui Qian

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Groundwater is an important water resource in the world, especially in arid and semi-arid regions. In the present study, 141 groundwater samples were collected and analyzed for various physicochemical parameters to assess the irrigation water quality using six indicators (sodium percentage (Na%), sodium adsorption ratio (SAR), magnesium hazard (MH), residual sodium carbonate (RSC), permeability index (PI), and potential salinity (PS)). The results show that the patterns for the average cation and anion concentrations were in decreasing orders of Na^＋ > Mg^2＋ > Ca^2＋ > K^＋and SO₄^2－ > HCO₃^－ > Cl^－ > NO₃^－ > CO₃^2－ > F^－, respectively. The values of Na%, MH, and PS show that most of the groundwater samples are not suitable for irrigation. The same conclusion is drawn from the USSL and Wilcox diagrams. PS values indicate that Cl^－and SO₄^2－have a great influence on irrigation water in Jiaokou Irrigation District. RSC and PI values indicate that more than half of groundwater samples are suitable for irrigation. The finding is beneficial for the policymakers for future water management schemes to achieve a sustainable development goal.

Keywords: groundwater chemistry, Guanzhong Basin, irrigation water quality evaluation, Jiaokou Irrigation District

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Authors: Stefania Fortino, Petr Hradil, Timo Avikainen

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Timber bridges have an excellent environmental performance, are economical, relatively easy to build and can have a long service life. However, the durability of these bridges is the main problem because of their exposure to outdoor climate conditions. The moisture content accumulated in wood for long periods, in combination with certain temperatures, may cause conditions suitable for timber decay. In addition, moisture content variations affect the structural integrity, serviceability and loading capacity of timber bridges. Therefore, the monitoring of the moisture content in wood is important for the durability of the material but also for the whole superstructure. The measurements obtained by the usual sensor-based techniques provide hygro-thermal data only in specific locations of the wood components. In this context, the monitoring can be assisted by numerical modelling to get more information on the hygro-thermal response of the bridges. This work presents a hygro-thermal model based on a multi-phase moisture transport theory to predict the distribution of moisture content, relative humidity and temperature in wood. Below the fibre saturation point, the multi-phase theory simulates three phenomena in cellular wood during moisture transfer, i.e., the diffusion of water vapour in the pores, the sorption of bound water and the diffusion of bound water in the cell walls. In the multi-phase model, the two water phases are separated, and the coupling between them is defined through a sorption rate. Furthermore, an average between the temperature-dependent adsorption and desorption isotherms is used. In previous works by some of the authors, this approach was found very suitable to study the moisture transport in uncoated and coated stress-laminated timber decks. Compared to previous works, the hygro-thermal fluxes on the external surfaces include the influence of the absorbed solar radiation during the time and consequently, the temperatures on the surfaces exposed to the sun are higher. This affects the whole hygro-thermal response of the timber component. The multi-phase model, implemented in a user subroutine of Abaqus FEM code, provides the distribution of the moisture content, the temperature and the relative humidity in a volume of the timber deck. As a case study, the hygro-thermal data in wood are collected from the ongoing monitoring of the stress-laminated timber deck of Tapiola Bridge in Finland, based on integrated humidity-temperature sensors and the numerical results are found in good agreement with the measurements. The proposed model, used to assist the monitoring, can contribute to reducing the maintenance costs of bridges, as well as the cost of instrumentation, and increase safety.

Keywords: moisture content, multi-phase models, solar radiation, timber decks, FEM

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Authors: Julius Agaka Yusufu

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This study undertakes the development of an optimal PV-diesel hybrid power system tailored to the specific energy landscape of Vimtim Mubi, Nigeria, utilizing real-world wind speed, solar radiation, and diesel cost data. Employing HOMER simulation, the research meticulously assesses the technical and financial viability of this hybrid configuration. Additionally, a rigorous performance comparison is conducted between the PV-diesel system and the conventional grid-connected alternative, offering crucial insights into the potential advantages and economic feasibility of adopting hybrid renewable energy solutions in regions grappling with energy access and reliability challenges, with implications for sustainable electrification efforts in similar communities worldwide.

Keywords: Vimtim-Nigeria, homer, renewable energy, PV-diesel hybrid system.

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Authors: Robert Wimmer, Soeren Eikemeier, Michael Berger, Anita Preisler

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A relatively large percentage of energy and resource consumption occurs in the building sector. This concerns the production of building materials, the construction of buildings and also the energy consumption during the use phase. Therefore, the overall objective of this EU LIFE project “LIFE Cycle Habitation” (LIFE13 ENV/AT/000741) is to demonstrate innovative building concepts that significantly reduce CO₂emissions, mitigate climate change and contain a minimum of grey energy over their entire life cycle. The project is being realised with the contribution of the LIFE financial instrument of the European Union. The ultimate goal is to design and build prototypes for carbon-neutral and “LIFE cycle”-oriented residential buildings and make energy-efficient settlements the standard of tomorrow in line with the EU 2020 objectives. To this end, a resource and energy-efficient building compound is being built in Böheimkirchen, Lower Austria, which includes 6 living units and a community area as well as 2 single family houses with a total usable floor surface of approximately 740 m². Different innovative straw bale construction types (load bearing and pre-fabricated non loadbearing modules) together with a highly innovative energy-supply system, which is based on the maximum use of thermal energy for thermal energy services, are going to be implemented. Therefore only renewable resources and alternative energies are used to generate thermal as well as electrical energy. This includes the use of solar energy for space heating, hot water and household appliances like dishwasher or washing machine, but also a cooking place for the community area operated with thermal oil as heat transfer medium on a higher temperature level. Solar collectors in combination with a biomass cogeneration unit and photovoltaic panels are used to provide thermal and electric energy for the living units according to the seasonal demand. The building concepts are optimised by support of dynamic simulations. A particular focus is on the production and use of modular prefabricated components and building parts made of regionally available, highly energy-efficient, CO₂-storing renewable materials like straw bales. The building components will be produced in collaboration by local SMEs that are organised in an efficient way. The whole building process and results are monitored and prepared for knowledge transfer and dissemination including a trial living in the residential units to test and monitor the energy supply system and to involve stakeholders into evaluation and dissemination of the applied technologies and building concepts. The realised building concepts should then be used as templates for a further modular extension of the settlement in a second phase.

Keywords: energy-efficiency, green architecture, renewable resources, sustainable building

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Authors: Mohamed El Moctar Abeidi

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The indazole derivatives exhibit a wide spectrum of biological activities. They are known for their anti-tumor, antiplatelet, anti-viral, anti-microbial, anti-inflammatory, anti-leishmania and even anti-spermatogen. As part of our research on the synthesis of a number of heterocycles capable of exhibiting a biological and pharmacological property, due to our ongoing interest in the development of a simple and low-cost procedure for obtaining heterocyclic compounds that may have an interest for medicinal purposes. We present in this work the synthesis of 6-nitro-indazoles derivatives, using two different methods. the first method is the alkylation of Nitroindazole by two different alkylating agents under the conditions of solid/liquid phase transfer catalysis in N, N-dimethylformamide (DMF) in the presence of potassium carbonate (K₂CO₃) as a base, and tetra-n-butylammonium bromide (BTBA) as a catalyst. While the other method is the 1,3-dipolar cycloaddition, in this case, we have undertaken the preparation of bi-heterocyclic containing the 6-nitroindazole associate with group of isoxazoline, isoxazole or 1,2,3-Triazole under normal conditions and, under the catalytic conditions of the click chemistry we were also able to determine the structures without any ambiguity by the ¹H and ¹³C NMR.

Keywords: indazole, 6-nitroindazole, isoxazole, 1, 2, 3-Triazole

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Authors: Haslinda Nahazanan, Afshin Asadi, Zainuddin Md. Yusoff, Nik Nor Syahariati Nik Daud

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Mudrocks is considered as a problematic material due to their unexpected behaviour specifically when they are contacting with water or being exposed to the atmosphere. Many instability problems of cutting slopes were found lying on high slaking mudrocks. It has become one of the major concerns to geotechnical engineer as mudrocks cover up to 50% of sedimentary rocks in the geologic records. Mudrocks display properties between soils and rocks which can be very hard to understand. Therefore, this paper aims to review the definition, mineralogy, geo-chemistry, classification and engineering properties of mudrocks. As water has become one of the major factors that will rapidly change the behaviour of mudrocks, a review on the shear strength of mudrocks in Derbyshire has been made using a fully automated hydraulic stress path testing system under three states: dry, short-term inundated and long-term inundated. It can be seen that the strength of mudrocks has deteriorated as it condition changed from dry to short-term inundated and finally to long-term inundated.

Keywords: mudrocks, sedimentary rocks, inundation, shear strength

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Authors: Julia B. Kischkat, Charlie D. Waters

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This research aims to understand the factors that may affect the survival and productivity of Pacific salmonids through two components. The first component is lab-based and aims to improve high-performance liquid chromatography to better quantify vitamin deficiencies such as thiamine. The lab work is conducted at the National Oceanic and Atmospheric Administration (NOAA) Ted Stevens Marine Research Institute in Juneau, Alaska. Deficiencies in thiamine have been shown to reduce the survival of salmonids at early life stages. The second component involves the analysis of a 22-year data set of migration timing of juvenile Coho Salmon, Dolly Varden, Steelhead, and returning adult Steelhead at Little Port Walter, Alaska. The statistical analysis quantifies their migration fluctuations and whether they correlate to various environmental conditions such as temperature, salinity, and precipitation.

Keywords: climate change, smolt timing, phenology, migration timing, salmon, time series analysis, ecology, chemistry, fisheries science

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Authors: B. K. Kanungo, Monika Thakur, Minati Baral

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8-hydroxyquinoline, (8HQ), experiences a renaissance due to its utility as a building block in metallosupramolecular chemistry and its versatile use of its derivatives in various fields of analytical chemistry, materials science, and pharmaceutics. It forms stable complexes with a variety of metal ions. Assembly of more than one such unit to form a polydentate chelator enhances its coordinating ability and the related properties due to the chelate effect resulting in high stability constant. Keeping in view the above, a nonadentate chelator N-[3,5-bis(8-hydroxyquinoline-2-amido)cyclohexyl]-8-hydroxyquinoline-2-carboxamide, (TACH2OX), containing a central cis,cis-1,3,5-triaminocyclohexane appended to three 8-hydroxyquinoline at 2-position through amide linkage is developed, and its solution thermodynamics, photophysical and Density Functional Theory (DFT) studies were undertaken. The synthesis of TACH2OX was carried out by condensation of cis,cis-1,3,5-triaminocyclohexane, (TACH) with 8‐hydroxyquinoline‐2‐carboxylic acid. The brown colored solid has been fully characterized through melting point, infrared, nuclear magnetic resonance, electrospray ionization mass and electronic spectroscopy. In solution, TACH2OX forms protonated complexes below pH 3.4, which consecutively deprotonates to generate trinegative ion with the rise of pH. Nine protonation constants for the ligand were obtained that ranges between 2.26 to 7.28. The interaction of the chelator with two trivalent metal ion Fe3+ and Al3+ were studied in aqueous solution at 298 K. The metal-ligand formation constants (ML) obtained by potentiometric and spectrophotometric method agree with each other. The protonated and hydrolyzed species were also detected in the system. The in-silico studies of the ligand, as well as the complexes including their protonated and deprotonated species assessed by density functional theory technique, gave an accurate correlation with each observed properties such as the protonation constants, stability constants, infra-red, nmr, electronic absorption and emission spectral bands. The nature of electronic and emission spectral bands in terms of number and type were ascertained from time-dependent density functional theory study and the natural transition orbitals (NTO). The global reactivity indices parameters were used for comparison of the reactivity of the ligand and the complex molecules. The natural bonding orbital (NBO) analysis could successfully describe the structure and bonding of the metal-ligand complexes specifying the percentage of contribution in atomic orbitals in the creation of molecular orbitals. The obtained high value of metal-ligand formation constants indicates that the newly synthesized chelator is a very powerful synthetic chelator. The minimum energy molecular modeling structure of the ligand suggests that the ligand, TACH2OX, in a tripodal fashion firmly coordinates to the metal ion as hexa-coordinated chelate displaying distorted octahedral geometry by binding through three sets of N, O- donor atoms, present in each pendant arm of the central tris-cyclohexaneamine tripod.

Keywords: complexes, DFT, formation constant, TACH2OX

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Authors: Cristina Opris, Bogdan Cojocaru, Madalina Tudorache, Simona M. Coman, Vasile I. Parvulescu, Camelia Bala, Bahir Duraki, Jeroen A. Van Bokhoven

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The tremendous achievements in the development of the society concretized by more sophisticated materials and systems are merely based on non-renewable resources. Consequently, after more than two centuries of intensive development, among others, we are faced with the decrease of the fossil fuel reserves, an increased impact of the greenhouse gases on the environment, and economic effects caused by the fluctuations in oil and mineral resource prices. The use of biomass may solve part of these problems, and recent analyses demonstrated that from the perspective of the reduction of the emissions of carbon dioxide, its valorization may bring important advantages conditioned by the usage of genetic modified fast growing trees or wastes, as primary sources. In this context, the abundance and complex structure of lignin may offer various possibilities of exploitation. However, its transformation in fuels or chemicals supposes a complex chemistry involving the cleavage of C-O and C-C bonds and altering of the functional groups. Chemistry offered various solutions in this sense. However, despite the intense work, there are still many drawbacks limiting the industrial application. Thus, the proposed technologies considered mainly homogeneous catalysts meaning expensive noble metals based systems that are hard to be recovered at the end of the reaction. Also, the reactions were carried out in organic solvents that are not acceptable today from the environmental point of view. To avoid these problems, the concept of this work was to investigate the synthesis of superparamagnetic core shell catalysts for the fragmentation of lignin directly in the aqueous phase. The magnetic nanoparticles were covered with a nanoshell of an oxide (niobia) with a double role: to protect the magnetic nanoparticles and to generate a proper (acidic) catalytic function and, on this composite, cobalt nanoparticles were deposed in order to catalyze the C-C bond splitting. With this purpose, we developed a protocol to prepare multifunctional and magnetic separable nano-composite Co@Nb2O5@Fe3O4 catalysts. We have also established an analytic protocol for the identification and quantification of the fragments resulted from lignin depolymerization in both liquid and solid phase. The fragmentation of various lignins occurred on the prepared materials in high yields and with very good selectivity in the desired fragments. The optimization of the catalyst composition indicated a cobalt loading of 4wt% as optimal. Working at 180 oC and 10 atm H2 this catalyst allowed a conversion of lignin up to 60% leading to a mixture containing over 96% in C20-C28 and C29-C37 fragments that were then completely fragmented to C12-C16 in a second stage. The investigated catalysts were completely recyclable, and no leaching of the elements included in the composition was determined by inductively coupled plasma optical emission spectrometry (ICP-OES).

Keywords: superparamagnetic core-shell catalysts, environmental production of fuels, renewable lignin, recyclable catalysts

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Authors: A. Attaf A., I. Bouhaf Kharkhachi

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Spray ultrasonic deposition technique of tin disulfide (SnS2) thin films know wide application due to their adequate physicochemical properties for microelectronic applications and especially for solar cells. SnS2 film was deposited by spray ultrasonic technique, on pretreated glass substrates at well-determined conditions.The effect of SnS2 concentration on different optical properties of SnS2 Thin films, such us MEB, XRD, and UV spectroscopy visible spectrum was investigated. MEB characterization technique shows that the morphology of this films is uniform, compact and granular. x-ray diffraction study detects the best growth crystallinity in hexagonal structure with preferential plan (001). The results of UV spectroscopy visible spectrum show that films deposited at 0.1 mol/l is large transmittance greater than 25% in the visible region.The band gap energy is 2.54 Ev for molarity 0.1 mol/l.

Keywords: MEB, thin disulfide, thin films, ultrasonic spray, X-Ray diffraction, UV spectroscopy visible

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Authors: N. Hatraf, N. Moummi

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The interest in air conditioning using renewable energies is increasing. The thermal energy produced from the solar energy can be converted to useful cooling and heating through the thermochemical or thermophysical processes by using thermally activated energy conversion systems. The ambient air contains so much water that very high dehumidification rates are required. For a continuous dehumidification of the process air, the water adsorbed on the desiccant material has to be removed, which is done by allowing hot air to flow through the desiccant material (regeneration). A solid desiccant cooling system transfers moisture from the inlet air to the silica gel by using two processes: Absorption process and the regeneration process. The main aim of this paper is to study how the dehumidification rate, the generation temperature and many other factors influence the efficiency of a solid desiccant system by using TRNSYS software. The results show that the desiccant system could be used to decrease the humidity rate of the entering air.

Keywords: dehumidification, efficiency, humidity, Trnsys

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Authors: Mehdi Ameur, Ahmed Essakdi, Tamou Nasser

Abstract:

The purpose of this paper is the analysis and modeling of the photovoltaic system with MPPT techniques. This system is developed by combining the models of established solar module and DC-DC converter with the algorithms of perturb and observe (P&O), incremental conductance (INC) and fuzzy logic controller(FLC). The system is simulated under different climate conditions and MPPT algorithms to determine the influence of these conditions on characteristic power-voltage of PV system. According to the comparisons of the simulation results, the photovoltaic system can extract the maximum power with precision and rapidity using the MPPT algorithms discussed in this paper.

Keywords: photovoltaic array, maximum power point tracking, MPPT, perturb and observe, P&O, incremental conductance, INC, hill climbing, HC, fuzzy logic controller, FLC

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Authors: Hojat Heidari-Bafroui, Amer Charbaji, Constantine Anagnostopoulos, Mohammad Faghri

Abstract:

Phosphorus is an essential nutrient for plant life which is most frequently found as phosphate in water. Once phosphate is found in abundance in surface water, a series of adverse effects on an ecosystem can be initiated. Therefore, a portable and reliable method is needed to monitor the phosphate concentrations in the field. In this paper, an inexpensive dip strip device with the ascorbic acid/antimony reagent dried on blotting paper along with wet chemistry is developed for the detection of low concentrations of phosphate in water. Ammonium molybdate and sulfuric acid are separately stored in liquid form so as to improve significantly the lifetime of the device and enhance the reproducibility of the device’s performance. The limit of detection and quantification for the optimized device are 0.134 ppm and 0.472 ppm for phosphate in water, respectively. The device’s shelf life, storage conditions, and limit of detection are superior to what has been previously reported for the paper-based phosphate detection devices.

Keywords: phosphate detection, paper-based device, molybdenum blue method, colorimetric assay

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Authors: Himanshu Dehra

Abstract:

This paper presents a paradigm for characterization and checking of human noise behavior. The definitions of ‘Noise’ and ‘Noise Behavior’ are devised. The concept of characterization and examining of Noise Behavior is obtained from the proposed paradigm of Psychoacoustics. The measurement of human noise behavior is discussed through definitions of noise sources and noise measurements. The noise sources, noise measurement equations and noise filters are further illustrated through examples. The theory and significance of solar energy acoustics is presented for life and its activities. Human comfort and health are correlated with human brain through physiological responses and noise protection. Examples of heat stress, intense heat, sweating and evaporation are also enumerated.

Keywords: human brain, noise behavior, noise characterization, noise filters, physiological responses, psychoacoustics

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Authors: Kristine Nore, Alexander Severnisen, Petter Arnestad, Dimitris Kraniotis, Roy Rossebø

Abstract:

Natural materials like wood, absorb and release moisture. Thus wood can buffer indoor climate. When used wisely, this buffer potential can be used to counteract the outer climate influence on the building. The mass of moisture used in the buffer is defined as the potential hygrothermal mass, which can be an energy storage in a building. This works like a natural heat pump, where the moisture is active in damping the diurnal changes. In Norway, the ability of wood as a material used for climate buffering is tested in several buildings with the extensive use of wood, including supermarkets. This paper defines the potential of hygrothermal mass in a supermarket building. This includes the chosen ventilation strategy, and how the climate impact of the building is reduced. The building is located above the arctic circle, 50m from the coastline, in Valnesfjord. It was built in 2015, has a shopping area, including toilet and entrance, of 975 m². The climate of the area is polar according to the Köppen classification, but the supermarket still needs cooling on hot summer days. In order to contribute to the total energy balance, wood needs dynamic influence to activate its hygrothermal mass. Drying and moistening of the wood are energy intensive, and this energy potential can be exploited. Examples are to use solar heat for drying instead of heating the indoor air, and raw air with high enthalpy that allow dry wooden surfaces to absorb moisture and release latent heat. Weather forecasts are used to define the need for future cooling or heating. Thus, the potential energy buffering of the wood can be optimized with intelligent ventilation control. The ventilation control in Valnesfjord includes the weather forecast and historical data. That is a five-day forecast and a two-day history. This is to prevent adjustments to smaller weather changes. The ventilation control has three zones. During summer, the moisture is retained to dampen for solar radiation through drying. In the winter time, moist air let into the shopping area to contribute to the heating. When letting the temperature down during the night, the moisture absorbed in the wood slow down the cooling. The ventilation system is shut down during closing hours of the supermarket in this period. During the autumn and spring, a regime of either storing the moisture or drying out to according to the weather prognoses is defined. To ensure indoor climate quality, measurements of CO₂ and VOC overrule the low energy control if needed. Verified simulations of the Valnesfjord building will build a basic model for investigating wood as a climate regulating material also in other climates. Future knowledge on hygrothermal mass potential in materials is promising. When including the time-dependent buffer capacity of materials, building operators can achieve optimal efficiency of their ventilation systems. The use of wood as a climate regulating material, through its potential hygrothermal mass and connected to weather prognoses, may provide up to 25% energy savings related to heating, cooling, and ventilation of a building.

Keywords: climate buffer, energy, hygrothermal mass, ventilation, wood, weather forecast

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Authors: Messai Amel, Badis Zakaria, Benali-Cherif Nourredine, Dominique Luneaub

Abstract:

We are interested in molecular polymetallic species having high spin and nuclearities in relation to the field of so call single-molecule magnets (SMMs). The goal is to find a way to synthesis metal clusters which may have application in magnetism and nano sciences. With this purpose, we decided to investigate the coordination chemistry of the Schiff base. Along this way we were able to create cubane-like complexes and elaborate new Single Molecule-Magnets. The idea was to use Schiff base ligands and different metals to generate high nuclear complexes. Complexation of Shiff base with copper (II) has been investigated. Tetra nuclear complex with a cubane like core have been synthesized with (Sciff base), with the same base and cobalt (II) we obtain an other single magnetic complex completely different. In this presentation, we report the synthesis, crystal structure and magnetic properties of the tetranuclear compound (Cu4 L4), and the tetranuclear compound. (Co4L4)

Keywords: cluster-assembled materials, magnetic compounds, Sciff base, cupper, cobalt

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Authors: Kelaiaia Mounia Samira, Labar Hocine, Mesbah Tarek, Kelaiaia samia

Abstract:

The photovoltaic panel produces green power, and because of its availability across the globe, it can supply isolated loads (site away of the electrical network or difficult of access). Unfortunately this energy remains very expensive. The most application of these types of power needs storage devices, the Lithium batteries are commonly used because of its powerful storage capability. Using a solar panel or an array of panels without a controller that can perform MPPT will often result in wasted power, which results in the need to install more panels for the same power requirement. For devices that have the battery connected directly to the panel, this will also result in premature battery failure or capacity loss. In this paper it is proposed a modified P&O algorithm for the MPPT which takes in account the battery’s internal resistance vs temperature and stage of charging. Of course the temperature variation and irradiation of the PV panel are also introduced.

Keywords: modeling, battery, MPPT, charging, PV Panel

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Authors: R. Mohan, V. Jadhav, A. Ahmed, J. Rivas, A. Kelkar

Abstract:

Cementitious materials are an excellent example of a composite material with complex hierarchical features and random features that range from nanometer (nm) to millimeter (mm) scale. Multi-scale modeling of complex material systems requires starting from fundamental building blocks to capture the scale relevant features through associated computational models. In this paper, molecular dynamics (MD) modeling is employed to predict the effect of plasticizer additive on the mechanical properties of key hydrated cement constituent calcium-silicate-hydrate (CSH) at the molecular, nanometer scale level. Due to complexity, still unknown molecular configuration of CSH, a representative configuration widely accepted in the field of mineral Jennite is employed. The effectiveness of the Molecular Dynamics modeling to understand the predictive influence of material chemistry changes based on molecular/nanoscale models is demonstrated.

Keywords: cement composite, mechanical properties, molecular dynamics, plasticizer additives

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Authors: Angelos Kaminis, Dakotah Stirnweis

Abstract:

Advances in robotic technology have driven the development of improved robotic companions in the last couple decades. However, commercially available robotic companions lack the ability to create an emotional connection with their user. By developing a companion robot that has a symbiotic relationship with a plant, an element of co-dependency is introduced into the human companion robot dynamic. This companion robot, while theoretically capable of providing most of the plant’s needs, still requires human interaction for watering, moving obstacles, and solar panel cleaning. To facilitate the interaction between human and robot, the robot is capable of limited auditory and visual communication to help express its and the plant’s needs. This paper seeks to fully describe the Autonomous Plant Care Robot system and its symbiotic relationship with its botanical ward and the plant and robot’s dependent relationship with their owner.

Keywords: symbiotic, robotics, autonomous, plant-care, companion

Procedia PDF Downloads 144