Search results for: singlet oxygen
1338 Experimental and Numerical Study on the Effects of Oxygen Methane Flames with Water Dilution for Different Pressures
Authors: J. P. Chica Cano, G. Cabot, S. de Persis, F. Foucher
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Among all possibilities to combat global warming, CO2 capture and sequestration (CCS) is presented as a great alternative to reduce greenhouse gas (GHG) emission. Several strategies for CCS from industrial and power plants are being considered. The concept of combined oxy-fuel combustion has been the most alternative solution. Nevertheless, due to the high cost of pure O2 production, additional ways recently emerged. In this paper, an innovative combustion process for a gas turbine cycle was studied: it was composed of methane combustion with oxygen enhanced air (OEA), exhaust gas recirculation (EGR) and H2O issuing from STIG (Steam Injection Gas Turbine), and the CO2 capture was realized by membrane separator. The effect on this combustion process was emphasized, and it was shown that a study of the influence of H2O dilution on the combustion parameters by experimental and numerical approaches had to be carried out. As a consequence, the laminar burning velocities measurements were performed in a stainless steel spherical combustion from atmospheric pressure to high pressure (up to 0.5 MPa), at 473 K for an equivalence ratio at 1. These experimental results were satisfactorily compared with Chemical Workbench v.4.1 package in conjunction with GRIMech 3.0 reaction mechanism. The good correlations so obtained between experimental and calculated flame speed velocities showed the validity of the GRIMech 3.0 mechanism in this domain of combustion: high H2O dilution, low N2, medium pressure. Finally, good estimations of flame speed and pollutant emissions were determined in other conditions compatible with real gas turbine. In particular, mixtures (composed of CH4/O2/N2/H2O/ or CO2) leading to the same adiabatic temperature were investigated. Influences of oxygen enrichment and H2O dilution (compared to CO2) were disused.Keywords: CO₂ capture, oxygen enrichment, water dilution, laminar burning velocity, pollutants emissions
Procedia PDF Downloads 1661337 Treatment of Poultry Slaughterhouse Wastewater by Mesophilic Static Granular Bed Reactor (SGBR) Coupled with UF Membrane
Authors: Moses Basitere, Marshal Sherene Sheldon, Seteno Karabo Obed Ntwampe, Debbie Dejager
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In South Africa, Poultry slaughterhouses consume largest amount of freshwater and discharges high strength wastewater, which can be treated successfully at low cost using anaerobic digesters. In this study, the performance of bench-scale mesophilic Static Granular Bed Reactor (SGBR) containing fully anaerobic granules coupled with ultra-filtration (UF) membrane as a post-treatment for poultry slaughterhouse wastewater was investigated. The poultry slaughterhouse was characterized by chemical oxygen demand (COD) range between 2000 and 6000 mg/l, average biological oxygen demand (BOD) of 2375 mg/l and average fats, oil and grease (FOG) of 554 mg/l. A continuous SGBR anaerobic reactor was operated for 6 weeks at different hydraulic retention time (HRT) and an Organic loading rate. The results showed an average COD removal was greater than 90% for both the SGBR anaerobic digester and ultrafiltration membrane. The total suspended solids and fats oil and grease (FOG) removal was greater than 95%. The SGBR reactor coupled with UF membrane showed a greater potential to treat poultry slaughterhouse wastewater.Keywords: chemical oxygen demand, poultry slaughterhouse wastewater, static granular bed reactor, ultrafiltration, wastewater
Procedia PDF Downloads 3871336 DNA Methylation Changes Caused by Lawsone
Authors: Zuzana Poborilova, Anna B. Ohlsson, Torkel Berglund, Anna Vildova, Petr Babula
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Lawsone is a pigment that occurs naturally in plants. It has been used as a skin and hair dye for a long time. Moreover, its different biological activities have been reported. The present study focused on the effect of lawsone on a plant cell model represented by tobacco BY-2 cell suspension culture, which is used as a model comparable with the HeLa cells. It has been shown that lawsone inhibits the cell growth in the concentration-dependent manner. In addition, changes in DNA methylation level have been determined. We observed decreasing level of DNA methylation in the presence of increasing concentrations of lawsone. These results were accompanied with overproduction of reactive oxygen species (ROS). Since epigenetic modifications can be caused by different stress factors, there could be a connection between the changes in the level of DNA methylation and ROS production caused by lawsone.Keywords: DNA methylation, lawsone, naphthoquinone, reactive oxygen species
Procedia PDF Downloads 4261335 Carbon Nanofibers as the Favorite Conducting Additive for Mn₃O₄ Catalysts for Oxygen Reactions in Rechargeable Zinc-Air Battery
Authors: Augustus K. Lebechi, Kenneth I. Ozoemena
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Rechargeable zinc-air batteries (RZABs) have been described as one of the most viable next-generation ‘beyond-the-lithium-ion’ battery technologies with great potential for renewable energy storage. It is safe, with a high specific energy density (1086 Wh/kg), environmentally benign, and low-cost, especially in resource-limited African countries. For widespread commercialization, the sluggish oxygen reaction kinetics pose a major challenge that impedes the reversibility of the system. Hence, there is a need for low-cost and highly active bifunctional electrocatalysts. Manganese oxide catalysts on carbon conducting additives remain the best couple for the realization of such low-cost RZABs. In this work, hausmannite Mn₃O₄ nanoparticles were synthesized through the annealing method from commercial electrolytic manganese dioxide (EMD), multi-walled carbon nanotubes (MWCNTs) were synthesized via the chemical vapor deposition (CVD) method and carbon nanofibers (CNFs) were synthesized via the electrospinning process with subsequent carbonization. Both Mn₃O₄ catalysts and the carbon conducting additives (MWCNT and CNF) were thoroughly characterized using X-ray powder diffraction spectroscopy (XRD), scanning electron microscopy (SEM), thermogravimetry analysis (TGA) and X-ray photoelectron spectroscopy (XPS). Composite electrocatalysts (Mn₃O₄/CNT and Mn₃O₄/CNF) were investigated for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) in an alkaline medium. Using the established electrocatalytic modalities for evaluating the electrocatalytic performance of materials (including double layer, electrochemical active surface area, roughness factor, specific current density, and catalytic stability), CNFs proved to be the most efficient conducting additive material for the Mn₃O₄ catalyst. From the DFT calculations, the higher performance of the CNFs over the MWCNTs is related to the ability of the CNFs to allow for a more favorable distribution of the d-electrons of the manganese (Mn) and enhanced synergistic effect with Mn₃O₄ for weaker adsorption energies of the oxygen intermediates (O*, OH* and OOH*). In a proof-of-concept, Mn₃O₄/CNF was investigated as the air cathode for rechargeable zinc-air battery (RZAB) in a micro-3D-printed cell configuration. The RZAB showed good performance in terms of open circuit voltage (1.77 V), maximum power density (177.5 mW cm-2), areal-discharge energy and cycling stability comparable to Pt/C (20 wt%) + IrO2. The findings here provide fresh physicochemical perspectives on the future design and utility of CNFs for developing manganese-based RZABs.Keywords: bifunctional electrocatalyst, oxygen evolution reaction, oxygen reduction reactions, rechargeable zinc-air batteries.
Procedia PDF Downloads 641334 A Comparative Study on Primary Productivity in Fish Cage Culture Unit and Fish Pond in Relation to Different Level of Water Depth
Authors: Pawan Kumar Sharma, J. Stephan Sampath Kumar, D. Manikandavelu, V. Senthil Kumar
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The total amount of productivity in the system is the gross primary productivity. The present study was carried out to understand the relationship between productivity in the cages and water depth. The experiment was conducted in the fish cages installed in the pond at the Directorate of Sustainable Aquaculture, Thanjavur, Tamil Nadu Dr. J. Jayalalithaa Fisheries University, Tamil Nadu (10° 47' 13.1964'' N; 79° 8' 16.1700''E). Primary productivity was estimated by light and dark bottle method. The measurement of primary productivity was done at different depths viz., 20 cm, 40 cm, and 60 cm. Six Biological Oxygen Demand bottles of 300 ml capacity were collected and tagged. The productivity was obtained in mg O2/l/hr. The maximum dissolved oxygen level at 20 cm depth was observed 5.62 ± 0.22 mg/l/hr in the light bottle in pond water while the minimum dissolved oxygen level at 20 cm depth in a cage was observed 3.62 ± 0.18 mg/l/hr in dark bottle. In the same way, the maximum and minimum value of dissolved oxygen was observed at 40, and 60 cm depth and results were compared. A slight change in pH was observed in the cage and pond. The maximum gross primary productivity observed was 1.97 mg/l/hr in pond at 20 cm depth while minimum gross primary productivity observed was 0.82±0.16 mg/l/hr in a cage at 60 cm depth. The community respiration was also variable with the depth in both cage and pond. Maximum community respiration was found 1.50±0.19 mg/l/hr in pond at 20 cm depth. A strong positive linear relationship was observed between primary productivity and fish yields in ponds. The pond primary productivity can contribute substantially to the nutrition of farm-raised aquaculture species, including shrimp. The growth of phytoplankton’s is dependent on the sun light, availability of primary nutrients (N, P, and K) in the water body and transparency, so to increase the primary productivity fertilization through organic manure may be done that will clean to the pond environment also.Keywords: cage aquaculture, water depth, net primary productivity, gross primary productivity, community respiration
Procedia PDF Downloads 2101333 Catalytic Activity of CU(II) Complex on C(SP3)-H Oxidation Reactions
Authors: Yalçın Kılıç, İbrahim Kani
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In recent years, interest in the synthesis of coordination compounds has greatly increased due to various application areas (such as catalysis, gas storage, luminescence). Dicarboxylic acids are often used in the synthesis of metal complexes. Bis-thiosalicylate derivative ligands contribute to the synthesis of structures of crystal engineering interest, as they can have both rigid and flexible properties. In addition, these ligands have great potential in terms of catalytic applications with the sulfur and oxygen donor atoms in their structures. In this study, we synthesized a Cu(II) complex [Cu(tsaxyl)(phen)2]•CH3OH (where tsaxyl = 2,2'-(1,2-phylenebis(methylene))bis(sulfanedyl)dibenzoate, phen = 1,10-phenantroline) and characterized through X-ray crystallography. The catalytic activities of Cu(II) complex on oxidation of ethylbenzene, cyclohexane, diphenylmethane, p-xylene were performed in acetonitrile with t-BuOOH as the source of oxygen.Keywords: complex, crystallography, catalysis, oxidation
Procedia PDF Downloads 1071332 A Green Optically Active Hydrogen and Oxygen Generation System Employing Terrestrial and Extra-Terrestrial Ultraviolet Solar Irradiance
Authors: H. Shahid
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Due to Ozone layer depletion on earth, the incoming ultraviolet (UV) radiation is recorded at its high index levels such as 25 in South Peru (13.5° S, 3360 m a.s.l.) Also, the planning of human inhabitation on Mars is under discussion where UV radiations are quite high. The exposure to UV is health hazardous and is avoided by UV filters. On the other hand, artificial UV sources are in use for water thermolysis to generate Hydrogen and Oxygen, which are later used as fuels. This paper presents the utility of employing UVA (315-400nm) and UVB (280-315nm) electromagnetic radiation from the solar spectrum to design and implement an optically active, Hydrogen and Oxygen generation system via thermolysis of desalinated seawater. The proposed system finds its utility on earth and can be deployed in the future on Mars (UVB). In this system, by using Fresnel lens arrays as an optical filter and via active tracking, the ultraviolet light from the sun is concentrated and then allowed to fall on two sub-systems of the proposed system. The first sub-system generates electrical energy by using UV based tandem photovoltaic cells such as GaAs/GaInP/GaInAs/GaInAsP and the second elevates temperature of water to lower the electric potential required to electrolyze the water. An empirical analysis is performed at 30 atm and an electrical potential is observed to be the main controlling factor for the rate of production of Hydrogen and Oxygen and hence the operating point (Q-Point) of the proposed system. The hydrogen production rate in the case of the commercial system in static mode (650ᵒC, 0.6V) is taken as a reference. The silicon oxide electrolyzer cell (SOEC) is used in the proposed (UV) system for the Hydrogen and Oxygen production. To achieve the same amount of Hydrogen as in the case of the reference system, with minimum chamber operating temperature of 850ᵒC in static mode, the corresponding required electrical potential is calculated as 0.3V. However, practically, the Hydrogen production rate is observed to be low in comparison to the reference system at 850ᵒC at 0.3V. However, it has been shown empirically that the Hydrogen production can be enhanced and by raising the electrical potential to 0.45V. It increases the production rate to the same level as is of the reference system. Therefore, 850ᵒC and 0.45V are assigned as the Q-point of the proposed system which is actively stabilized via proportional integral derivative controllers which adjust the axial position of the lens arrays for both subsystems. The functionality of the controllers is based on maintaining the chamber fixed at 850ᵒC (minimum operating temperature) and 0.45V; Q-Point to realize the same Hydrogen production rate as-is for the reference system.Keywords: hydrogen, oxygen, thermolysis, ultraviolet
Procedia PDF Downloads 1331331 Design, Modeling, Fabrication, and Testing of a Scaled down Hybrid Rocket Engine
Authors: Pawthawala Nancy Manish, Syed Alay Hashim
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A hybrid rocket is a rocket engine which uses propellants in two different states of matter- one is in solid and the other either gas or liquid. A hybrid rocket exhibit advantages over both liquid rockets and solid rockets especially in terms of simplicity, stop-start-restart capabilities, safety and cost. This paper deals the design and development of a hybrid rocket having paraffin wax as solid fuel and liquid oxygen as oxidizer. Due to variation of pressure in combustion chamber there is significantly change in mass flow rate, burning rate and uneven regression along the length of the grain. This project describes the working model of a hybrid propellant rocket motor. We have designed a hybrid rocket thrust chamber based on the predetermined combustion chamber pressure and the properties of hybrid propellant. This project is all ready in working condition with normal oxygen injector. Now we have planned to modify the injector design to improve the combustion property. We will use spray type injector for injecting the oxidizer. This idea will increase the performance followed by the regression rate of the solid fuel. By employing mass conservation law, oxygen mass flux, oxidizer/fuel ratio and regression rate the thrust coefficient can be obtained for our current design. CATIA V5 R20 is our design software for the complete setup. This project is fully based on experimental evaluation and the collection of combustion and flow parameters. The thrust chamber is made of stainless steel and the duration of test is around 15-20 seconds (Maximum). These experiments indicates that paraffin based fuel provides the opportunity to satisfy a broad range of mission requirements for the next generation of the hybrid rocket system.Keywords: burning rate, liquid oxygen, mass flow rate, paraffin wax and sugar
Procedia PDF Downloads 3361330 Establishment and Validation of Correlation Equations to Estimate Volumetric Oxygen Mass Transfer Coefficient (KLa) from Process Parameters in Stirred-Tank Bioreactors Using Response Surface Methodology
Authors: Jantakan Jullawateelert, Korakod Haonoo, Sutipong Sananseang, Sarun Torpaiboon, Thanunthon Bowornsakulwong, Lalintip Hocharoen
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Process scale-up is essential for the biological process to increase production capacity from bench-scale bioreactors to either pilot or commercial production. Scale-up based on constant volumetric oxygen mass transfer coefficient (KLa) is mostly used as a scale-up factor since oxygen supply is one of the key limiting factors for cell growth. However, to estimate KLa of culture vessels operated with different conditions are time-consuming since it is considerably influenced by a lot of factors. To overcome the issue, this study aimed to establish correlation equations of KLa and operating parameters in 0.5 L and 5 L bioreactor employed with pitched-blade impeller and gas sparger. Temperature, gas flow rate, agitation speed, and impeller position were selected as process parameters and equations were created using response surface methodology (RSM) based on central composite design (CCD). In addition, the effects of these parameters on KLa were also investigated. Based on RSM, second-order polynomial models for 0.5 L and 5 L bioreactor were obtained with an acceptable determination coefficient (R²) as 0.9736 and 0.9190, respectively. These models were validated, and experimental values showed differences less than 10% from the predicted values. Moreover, RSM revealed that gas flow rate is the most significant parameter while temperature and agitation speed were also found to greatly affect the KLa in both bioreactors. Nevertheless, impeller position was shown to influence KLa in only 5L system. To sum up, these modeled correlations can be used to accurately predict KLa within the specified range of process parameters of two different sizes of bioreactors for further scale-up application.Keywords: response surface methodology, scale-up, stirred-tank bioreactor, volumetric oxygen mass transfer coefficient
Procedia PDF Downloads 2091329 Texture and Twinning in Selective Laser Melting Ti-6Al-4V Alloys
Authors: N. Kazantseva, P. Krakhmalev, I. Yadroitsev, A. Fefelov, N. Vinogradova, I. Ezhov, T. Kurennykh
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Martensitic texture-phase transition in Selective Laser Melting (SLM) Ti-6Al-4V (ELI) alloys was found. Electron Backscatter Diffraction (EBSD) analysis showed the initial cubic beta < 100 > (001) BCC texture. Such kind of texture is observed in BCC metals with flat rolling texture when axis is in the direction of rolling and the texture plane coincides with the plane of rolling. It was found that the texture of the parent BCC beta-phase determined the texture of low-temperature HCP alpha-phase limited the choice of its orientation variants. The {10-12} < -1011 > twinning system in titanium alloys after SLM was determined. Analysis of the oxygen contamination in SLM alloys was done. Comparison of the obtained results with the conventional titanium alloys is also provided.Keywords: additive technology, texture, twins, Ti-6Al-4V, oxygen content
Procedia PDF Downloads 6391328 Assessment of Treatment Methods to Remove Hazardous Dyes from Synthetic Wastewater
Authors: Abhiram Siva Prasad Pamula
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Access to clean drinking water becomes scarce due to the increase in extreme weather events because of the rise in the average global temperatures and climate change. By 2030, approximately 47% of the world’s population will face water shortages due to uncertainty in seasonal rainfall. Over 10000 varieties of synthetic dyes are commercially available in the market and used by textile and paper industries, negatively impacting human health when ingested. Besides humans, textile dyes have a negative impact on aquatic ecosystems by increasing biological oxygen demand and chemical oxygen demand. This study assesses different treatment methods that remove dyes from textile wastewater while focusing on energy, economic, and engineering aspects of the treatment processes.Keywords: textile wastewater, dye removal, treatment methods, hazardous pollutants
Procedia PDF Downloads 951327 Effect of Laser Ablation OTR Films on the Storability of Handaeri – gomchwi (Ligularia fischeri var. spiciformis Nakai) Jangajji in MA (Modified Atmosphere) Storage
Authors: In-Lee Choi, Sung Mi Hong, Min Jae Jeong, Jun Pill Baek, Ho-Min Kang
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Gomchwi (Ligularia fischeri) is grown in the wetland of the deep mountains in Korea and East Asia and has properties that are, inflammation control, whitening, antimutagenic and antigenotoxic. Jangajji is a type of pickle in Korean fermented food which is made by pickling or marinating vegetables in a sauce, such as soy sauce, chili pepper paste, soybean paste, or diluted vinegar for a long period of time. Handaeri-gomchwi jangajii is generally packed a film that has very low or no gas permeability in the Korean domestic market, so packages have a risk of swelling or bursting as a result of internal gas generation during storage or sale This study was conducted to improve secure distribution of Handaeri-gomchwi (Ligularia fischeri var. spiciformis Nakai) Jangajji using laser ablation OTR (oxygen transmission rate) films. Handaeri-gomchwi cultivated in Yangu, Gangwon province, Republic of Korea (Ligularia fischeri var. spiciformis Nakai) was processed in to Jangajji using soy sauce. They were packed by different OTR films, and were stored for 90 days in 7℃(10,000 cc, 20,000 cc, 40,000 cc and 80,000 cc O2/m²• day • atm), 20 days in 20℃ (10,000 cc, 30,000 cc, 70,000 cc and 100,000 cc) and compared with the control film(PP film, 1,300cc). The fresh weight loss, carbon dioxide, oxygen, and ethylene concentrations of Handaeri–gomchwi packages were measured during storage. On the final day of storage, incidence rate of fungi, pH, salinity, firmness, and off-flavor were measured. The fresh weight loss rate of Handaeri–gomchwi was less than 2.0% in 10,000cc OTR films at two different storage periods and temperatures. At 80,000cc(7℃) and 100,000cc(20℃), carbon dioxide contents were 2.0% and 6.4% respectively, whereas the control treatment had the highest concentration. Which was 35%(20℃) and 15%(7℃) , that resulted the packages to swell during storage. The control treatment Showed the lowest oxygen concentration at 2.5% in 7℃ and 0.8% in 20℃. Packages in 7℃ (0.3-1.7μL/L) showed very lower ethylene concentration than in 20℃(10-25μL/L), they also had no significant relation. On the final storage day, fungi were found in every film at both temperatures, except the 10,000cc, as oxygen permeability increased so did the pH, while the salinity decreased. Firmness and off-flavor Showed the best results at 10,000cc in both temperatures best result at 10,000cc in both temperature. Following the results, 10,000cc film is the most reasonable treat in storing Handaeri–gomchwi. For it had a suitable oxygen transmission rate, which prevents billowing, and maintained good qualities in both temperatures.Keywords: carbon dioxide, Korean pickle, marketable, oxygen
Procedia PDF Downloads 2761326 Adsorption and Electrochemical Regeneration for Industrial Wastewater Treatment
Authors: H. M. Mohammad, A. Martin, N. Brown, N. Hodson, P. Hill, E. Roberts
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Graphite intercalation compound (GIC) has been demonstrated to be a useful, low capacity and rapid adsorbent for the removal of organic micropollutants from water. The high electrical conductivity and low capacity of the material lends itself to electrochemical regeneration. Following electrochemical regeneration, equilibrium loading under similar conditions is reported to exceed that achieved by the fresh adsorbent. This behavior is reported in terms of the regeneration efficiency being greater than 100%. In this work, surface analysis techniques are employed to investigate the material in three states: ‘Fresh’, ‘Loaded’ and ‘Regenerated’. ‘Fresh’ GIC is shown to exhibit a hydrogen and oxygen rich surface layer approximately 150 nm thick. ‘Loaded’ GIC shows a similar but slightly thicker surface layer (approximately 370 nm thick) and significant enhancement in the hydrogen and oxygen abundance extending beyond 600 nm from the surface. 'Regenerated’ GIC shows an oxygen rich layer, slightly thicker than the fresh case at approximately 220 nm while showing a very much lower hydrogen enrichment at the surface. Results demonstrate that while the electrochemical regeneration effectively removes the phenol model pollutant, it also oxidizes the exposed carbon surface. These results may have a significant impact on the estimation of adsorbent life.Keywords: graphite, adsorbent, electrochemical, regeneration, phenol
Procedia PDF Downloads 1391325 Characterization of Plunging Water Jets in Crossflows: Experimental and Numerical Studies
Authors: Mina Esmi Jahromi, Mehdi Khiadani
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Plunging water jets discharging into turbulent crossflows are capable of providing efficient air water interfacial area, which is desirable for the process of mass transfer. Although several studies have been dedicated to the air entrainment by water jets impinging into stagnant water, very few studies have focused on the water jets in crossflows. This study investigates development of the two-phase flow as a result of the jet impingements into crossflows by means of image processing technique and CFD simulations. Investigations are also conducted on the oxygen transfer and a correlation is established between the aeration properties and the oxygenation capacity of water jets in crossflows. This study helps the optimal design and the effective operation of the industrial and the environmental equipment incorporating water jets in crossflows.Keywords: air entrainment, CFD simulation, image processing, jet in crossflow, oxygen transfer, two-phase flow
Procedia PDF Downloads 2381324 Magnetization Studies and Vortex Phase Diagram of Oxygenated YBa₂Cu₃₋ₓAlₓO₆₊δ Single Crystal
Authors: Ashna Babu, Deepshikha Jaiswal Nagar
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Cuprate high-temperature superconductors (HTSCs) have been immensely studied during the past few decades because of their structure which is described as a superlattice of superconducting CuO₂ layers. In particular, YBa₂Cu₃O₆₊δ (YBCO), with its critical temperature of 93 K, has received the most attention due to its well-defined metal stoichiometry and variable oxygen content that determines the carrier doping level. Substitution of metal ions at the Cu site is known to increase the critical current density without destroying superconductivity in YBCO. The construction of vortex phase diagrams is very important for such doped YBCO materials both from a fundamental perspective as well as from a technological perspective. By measuring field-dependent magnetization on annealed single crystals of Al-doped YBCO, YBa₂Cu₃₋ₓAlₓO₆₊δ (Al-YBCO), we were able to observe a second magnetization peak anomaly (SMP) in a very large part of the phase diagram. We were also able to observe the SMP anomaly in temperature-dependent magnetization measurements, the first observation to our knowledge. Critical current densities were calculated using Bean’s critical state model, flux jumps associated with symmetry reorientation of vortex lattice were studied, the oxygen cluster distribution was also analysed, and by incorporating all observations, we made a vortex phase diagram for oxygenated Al-YBCO single crystal.Keywords: oxygen deficient clusters, second magnetization peak anomaly, flux jumps, vortex phase diagram
Procedia PDF Downloads 701323 First-Principles Density Functional Study of Nitrogen-Doped P-Type ZnO
Authors: Abdusalam Gsiea, Ramadan Al-habashi, Mohamed Atumi, Khaled Atmimi
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We present a theoretical investigation on the structural, electronic properties and vibrational mode of nitrogen impurities in ZnO. The atomic structures, formation and transition energies and vibrational modes of (NO3)i interstitial or NO4 substituting on an oxygen site ZnO were computed using ab initio total energy methods. Based on Local density functional theory, our calculations are in agreement with one interpretation of bound-excition photoluminescence for N-doped ZnO. First-principles calculations show that (NO3)i defects interstitial or NO4 substituting on an Oxygen site in ZnO are important suitable impurity for p-type doping in ZnO. However, many experimental efforts have not resulted in reproducible p-type material with N2 and N2O doping. by means of first-principle pseudo-potential calculation we find that the use of NO or NO2 with O gas might help the experimental research to resolve the challenge of achieving p-type ZnO.Keywords: DFF, nitrogen, p-type, ZnO
Procedia PDF Downloads 4631322 Surface and Drinking Water Quality Monitoring of Thomas Reservoir, Kano State, Nigeria
Authors: G. A. Adamu, M. S. Sallau, S. O. Idris, E. B. Agbaji
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Drinking water is supplied to Danbatta, Makoda and some parts of Minjibir local government areas of Kano State from the surface water of Thomas Reservoir. The present land use in the catchment area of the reservoir indicates high agricultural activities, fishing, as well as domestic and small scale industrial activities. To study and monitor the quality of surface and drinking water of the area, water samples were collected from the reservoir, treated water at the treatment plant and potable water at the consumer end in three seasons November - February (cold season), March - June (dry season) and July - September (rainy season). The samples were analyzed for physical and chemical parameters, pH, temperature, total dissolved solids (TDS), conductivity, turbidity, total hardness, suspended solids, total solids, colour, dissolved oxygen (DO), biological oxygen demand (BOD), chloride ion (Cl-) nitrite (NO2-), nitrate (NO3-), chemical oxygen demand (COD) and phosphate (PO43-). The higher values obtained in some parameters with respect to the acceptable standard set by World Health Organization (WHO) and Nigerian Industrial Standards (NIS) indicate the pollution of both the surface and drinking water. These pollutants were observed to have a negative impact on water quality in terms of eutrophication, largely due to anthropogenic activities in the watershed.Keywords: surface water, drinking water, water quality, pollution, Thomas reservoir, Kano
Procedia PDF Downloads 2951321 Performance Evaluation of On-Site Sewage Treatment System (Johkasou)
Authors: Aashutosh Garg, Ankur Rajpal, A. A. Kazmi
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The efficiency of an on-site wastewater treatment system named Johkasou was evaluated based on its pollutant removal efficiency over 10 months. This system was installed at IIT Roorkee and had a capacity of treating 7 m3/d of sewage water, sufficient for a group of 30-50 people. This system was fed with actual wastewater through an equalization tank to eliminate the fluctuations throughout the day. Methanol and ammonium chloride was added into this equalization tank to increase the Chemical Oxygen Demand (COD) and ammonia content of the influent. The outlet from Johkasou is sent to a tertiary unit consisting of a Pressure Sand Filter and an Activated Carbon Filter for further treatment. Samples were collected on alternate days from Monday to Friday and the following parameters were evaluated: Chemical Oxygen Demand (COD), Biochemical Oxygen Demand (BOD), Total Suspended Solids (TSS), and Total Nitrogen (TN). The Average removal efficiency for Chemical Oxygen Demand (COD), Biochemical Oxygen Demand (BOD), Total Suspended Solids (TSS), and Total Nitrogen (TN) was observed as 89.6, 97.7, 96, and 80% respectively. The cost of treating the wastewater comes out to be Rs 23/m3 which includes electricity, cleaning and maintenance, chemical, and desludging costs. Tests for the coliforms were also performed and it was observed that the removal efficiency for total and fecal coliforms was 100%. The sludge generation rate is approximately 20% of the BOD removal and it needed to be removed twice a year. It also showed a very good response against the hydraulic shock load. We performed vacation stress analysis on the system to evaluate the performance of the system when there is no influent for 8 consecutive days. From the result of stress analysis, we concluded that system needs a recovery time of about 48 hours to stabilize. After about 2 days, the system returns again to original conditions and all the parameters in the effluent become within the limits of National Green Tribunal (NGT) standards. We also performed another stress analysis to save the electricity in which we turned the main aeration blower off for 2 to 12 hrs a day and the results showed that we can turn the blower off for about 4-6 hrs a day and this will help in reducing the electricity costs by about 25%. It was concluded that the Johkasou system can remove a sufficient amount of all the physiochemical parameters tested to satisfy the prescribed limit set as per Indian Standard.Keywords: on-site treatment, domestic wastewater, Johkasou, nutrient removal, pathogens removal
Procedia PDF Downloads 1151320 Improving Cyclability and Capacity of Lithium Oxygen Batteries via Low Rate Pre-Activation
Authors: Zhihong Luo, Guangbin Zhu, Lulu Guo, Zhujun Lyu, Kun Luo
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Cycling life has become the threshold for the prospective application of Li-O₂ batteries, and the protection of Li anode has recently regarded as the key factor to the performance. Herein, a simple low rate pre-activation (20 cycles at 0.5 Ag⁻¹ and a capacity of 200 mAh g⁻¹) was employed to effectively improve the performance and cyclability of Li-O₂ batteries. The charge/discharge cycles at 1 A g⁻¹ with a capacity of 1000 mAh g⁻¹ were maintained for up to 290 times versus 55 times for the cell without pre-activation. The ultimate battery capacity and high rate discharge property were also largely enhanced. Morphology, XRD and XPS analyses reveal that the performance improvement is in close association with the formation of the smooth and compact surface layer formed on the Li anode after low rate pre-activation, which apparently alleviated the corrosion of Li anode and the passivation of cathode during battery cycling, and the corresponding mechanism was also discussed.Keywords: lithium oxygen battery, pre-activation, cyclability, capacity
Procedia PDF Downloads 1601319 Effect of Modified Atmosphere Packaging and Storage Temperatures on Quality of Shelled Raw Walnuts
Authors: M. Javanmard
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This study was aimed at analyzing the effects of packaging (MAP) and preservation conditions on the packaged fresh walnut kernel quality. The central composite plan was used for evaluating the effect of oxygen (0–10%), carbon dioxide (0-10%), and temperature (4-26 °C) on qualitative characteristics of walnut kernels. Also, the response level technique was used to find the optimal conditions for interactive effects of factors, as well as estimating the best conditions of process using least amount of testing. Measured qualitative parameters were: peroxide index, color, decreased weight, mould and yeast counting test, and sensory evaluation. The results showed that the defined model for peroxide index, color, weight loss, and sensory evaluation is significant (p < 0.001), so that increase of temperature causes the peroxide value, color variation, and weight loss to increase and it reduces the overall acceptability of walnut kernels. An increase in oxygen percentage caused the color variation level and peroxide value to increase and resulted in lower overall acceptability of the walnuts. An increase in CO2 percentage caused the peroxide value to decrease, but did not significantly affect other indices (p ≥ 0.05). Mould and yeast were not found in any samples. Optimal packaging conditions to achieve maximum quality of walnuts include: 1.46% oxygen, 10% carbon dioxide, and temperature of 4 °C.Keywords: shelled walnut, MAP, quality, storage temperature
Procedia PDF Downloads 3891318 Competitive Coordination Strategy Towards Reversible Hybrid Hetero-Homogeneous Oxygen-Evolving Catalyst
Authors: Peikun Zhang, Chunhua Cui
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Photoelectrochemical (PEC) water splitting provides a promising pathway to convert solar energy into renewable fuels. However, the main and seemingly insurmountable obstacle is that the sluggish kinetics of oxygen evolution reaction (OER) severely jeopardizes the overall efficiency, thus exploring highly active, stable, and appreciable catalysts is urgently requested. Herein a competitive coordination strategy was demonstrated to form a reversible hybrid homo-heterogeneous catalyst for efficient OER in alkaline media. The dynamic process involves an in-situ anchoring of soluble nickel–bipyridine pre-catalyst to a conductive substrate under OER and a re-dissolution course under open circuit potential, induced by the competitive coordination between nickel–bipyridine and nickel-hydroxyls. This catalyst allows to elaborately self-modulate a charge-transfer layer thickness upon the catalytic on-off operation, which affords substantially increased active sites, yet remains light transparency, and sustains the stability of over 200 hours of continuous operation. The integration of this catalyst with exemplified state-of-the-art Ni-sputtered Si photoanode can facilitate a ~250 mV cathodic shift at a current density of 20 mA cm-2. This finding helps the understanding of catalyst from a “dynamic” perspective, which represents a viable alternative to address remaining hurdles toward solar-driven water oxidation.Keywords: molecular catalyst, oxygen evolution reaction, solar energy, transition metal complex, water splitting
Procedia PDF Downloads 1231317 Physiological Responses of the Heterobranchus bidorsalis (Male) X Clarias gariepinus (Female) Hybrid (Heteroclarias) Fingerlings to Different Temperature Levels under Laboratory Conditions
Authors: A. V. Ayanwale, S. M. Tsadu, S. L. Lamai, R. J. Kolo, Y. I. Auta, A. Z. Mohammed
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A twelve weeks experiment was carried out on Heteroclarias freshwater hybrid fish fingerlings under laboratory conditions to study the effects of different temperature levels, 26.91 (control), 28.00, 30.00, 32.00°C respectively and their physiological responses to oxygen consumption, ammonia excretion and opercular respiratory beats were evaluated. The oxygen consumption, ammonia excretion and opercular respiratory beats were determined weekly based on standard procedures. The findings revealed that the oxygen consumption of Heteroclarias hybrid fingerlings significantly (p<0.05) increased with increase in temperature. The ammonia excretion were not significantly different (p>0.05) in all the temperature levels. The opercular respiratory beats per minutes showed similar trend in weeks 1,2,4 and 8 but indicated significantly higher (p<0.05) opercular respiratory beats (range= 117.10±2.26 at 30oC to 142.75±3.04 opercular beat at 32oC in week 8) at highest tested temperature levels. However, there was a decreasing trend in the opercular respiratory beats per minute of the controlled fingerlings. Generally, the opercular respiratory beats per minute decreased with increase in fish size. The findings of this study confirmed that increase in water temperature affects the physiology of Heteroclarias hybrid and hence for effective rearing and for profit making, it is essential for the hybrid to be cultured in the temperature range between 26.91°C (control) and 28.00°C.Keywords: heteroclarias, hybrid, physiological responses, temperature
Procedia PDF Downloads 4801316 Investigating the Difference in Stability of Various Isomeric Hydrogen Bonded Dimers
Authors: Mohamed Ayoub
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The structures and energetics of various isomeric hydrogen bonded dimers, such as (FH…OC, FH…CO), (FH…CNH, FH…NCH), (FH…N2O, FH…ON2), and (FH…NHCO, FH…OCNH) have been investigated using DFT B3LYP with aug-cc-pVTZ basis set and by natural bond orbital (NBO) analysis. For each isomeric pair we calculated: H-bond energy (ΔEB…H), charge-transfer (QCT), where B is atom bearing lone-pairs in CO, CNH, NCH, N2O, and NHCO, H-bond distances (RB…H), the elongation of HF bond (ΔRHF) and the red-shift of HF stretching frequency (ΔVHF). We conclude that the principle difference in the relative stability between each isomeric pair is attributed to distinctive interaction of carbon and oxygen lone pairs of CO, carbon and nitrogen lone-pairs of CNH and NCH, and nitrogen and oxygen lone pairs of N2O and NHCO into the unfilled antibond on HF (σ*HF).Keywords: charge transfer, computational chemistry, isomeric hydrogen bond, natural bond orbital
Procedia PDF Downloads 2481315 Enhancement of Dissolved Oxygen Concentration during the Electrocoagulation Process Using an Innovative Flow Columns-Electrocoagulation Reactor
Authors: Khalid S. Hashim, Andy Shaw, Rafid Alkhaddar
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Dissolved oxygen concentration (DO) plays a key role in the electrocoagulation process (EC) as it oxidizes the heavy metals, ammonia, and cyanide into other forms that can be removed easily from water. For instance, the DO oxidises Fe (II) to Fe (III), As (III) to As (V), and cyanide to cyanate and then to ammonia. As well as, removal of nitrogenous compounds accomplishes by the presence of DO. Hence, many of the previous investigations used external aerators to provide the required DO inside EC reactors especially when the water being treated has low DO (such as leachate and highly polluted waters with organic matter); or when the DO depleted during the EC treatment. Although the external aeration process effectively enhances the DO concentration, it has a significant impact on energy consumption. Where, the presence of air bubbles increases the electrical resistance of the EC cell that increase the energy consumption in consequence. Thus, the present project aims to fill this gap by an innovative use of perforated flow columns in the designing of a new EC reactor (ECR1). The new reactor (ECR1) consisted of a Perspex made cylinder container having a controllable working volume of 0.5 to 1 L. It supplied with a flow column that consisted of perorated discoid electrodes that made from aluminium. In order to investigate the performance of ECR1; water samples with a controlled DO concentration were pumped at different flow rates (110, 220, and 440 ml/min) to the ECR1 for 10 min. The obtained results demonstrated that the ECR1 increased the DO concentration from 5.0 to 9.54, 10.53, and 11.0 mg/L which equivalent to 90.8%, 110.6%, and 120% at flow rates of 110, 220, and 440 mL/min respectively.Keywords: dissolved oxygen, flow column, electrocoagulation, aluminium electrodes
Procedia PDF Downloads 2731314 Multifunctional Polydopamine-Silver-Polydopamine Nanofilm With Applications in Digital Microfluidics and SERS
Authors: Yilei Xue, Yat-Hing Ham, Wenting Qiu, Wan Chan, Stefan Nagl
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Polydopamine (PDA) is a popular material in biological and medical applications due to its excellent biocompatibility, outstanding physicochemical properties, and facile fabrication. In this project, a new sandwich-structured PDA and silver (Ag) hybrid material named PDA-Ag-PDA was synthesized and characterized layer-by-layer, where silver nanoparticles (Ag NPs) are wrapped in PDA coatings, using SEM, AFM, 3D surface metrology, and contact angle meter. The silver loading capacity is positively proportional to the roughness value of the initial PDA film. This designed film was subsequently integrated within a digital microfluidic (DMF) platform coupling with an oxygen sensor layer for on-chip antibacterial assay. The concentration of E. coli was quantified on DMF by real-time monitoring oxygen consumption during E. coli growth with the optical oxygen sensor layer. The PDA-Ag-PDA coating shows an 99.9% reduction in E. coli population under non-nutritive condition with 1-hour treatment and has a strong growth inhibition of E. coliin nutrient LB broth as well. Furthermore, PDA-Ag-PDA film maintaining a low cytotoxicity effect to human cells. After treating with PDA-Ag-PDA film for 24 hours, 82% HEK 293 and 86% HeLa cells were viable. The SERS enhancement factor of PDA-Ag-PDA is estimated to be 1.9 × 104 using Rhodamine 6G (R6G). Multifunctional PDA-Ag-PDA coating provides an alternative platform to conjugate biomolecules and perform biological applications on DMF, in particular, for the adhesive protein and cell study.Keywords: polydopamine, silver nanoparticles, digital microfluidic, optical sensor, antimicrobial assay, SERS
Procedia PDF Downloads 941313 Various Shaped ZnO and ZnO/Graphene Oxide Nanocomposites and Their Use in Water Splitting Reaction
Authors: Sundaram Chandrasekaran, Seung Hyun Hur
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Exploring strategies for oxygen vacancy engineering under mild conditions and understanding the relationship between dislocations and photoelectrochemical (PEC) cell performance are challenging issues for designing high performance PEC devices. Therefore, it is very important to understand that how the oxygen vacancies (VO) or other defect states affect the performance of the photocatalyst in photoelectric transfer. So far, it has been found that defects in nano or micro crystals can have two possible significances on the PEC performance. Firstly, an electron-hole pair produced at the interface of photoelectrode and electrolyte can recombine at the defect centers under illumination of light, thereby reducing the PEC performances. On the other hand, the defects could lead to a higher light absorption in the longer wavelength region and may act as energy centers for the water splitting reaction that can improve the PEC performances. Even if the dislocation growth of ZnO has been verified by the full density functional theory (DFT) calculations and local density approximation calculations (LDA), it requires further studies to correlate the structures of ZnO and PEC performances. Exploring the hybrid structures composed of graphene oxide (GO) and ZnO nanostructures offer not only the vision of how the complex structure form from a simple starting materials but also the tools to improve PEC performances by understanding the underlying mechanisms of mutual interactions. As there are few studies for the ZnO growth with other materials and the growth mechanism in those cases has not been clearly explored yet, it is very important to understand the fundamental growth process of nanomaterials with the specific materials, so that rational and controllable syntheses of efficient ZnO-based hybrid materials can be designed to prepare nanostructures that can exhibit significant PEC performances. Herein, we fabricated various ZnO nanostructures such as hollow sphere, bucky bowl, nanorod and triangle, investigated their pH dependent growth mechanism, and correlated the PEC performances with them. Especially, the origin of well-controlled dislocation-driven growth and its transformation mechanism of ZnO nanorods to triangles on the GO surface were discussed in detail. Surprisingly, the addition of GO during the synthesis process not only tunes the morphology of ZnO nanocrystals and also creates more oxygen vacancies (oxygen defects) in the lattice of ZnO, which obviously suggest that the oxygen vacancies be created by the redox reaction between GO and ZnO in which the surface oxygen is extracted from the surface of ZnO by the functional groups of GO. On the basis of our experimental and theoretical analysis, the detailed mechanism for the formation of specific structural shapes and oxygen vacancies via dislocation, and its impact in PEC performances are explored. In water splitting performance, the maximum photocurrent density of GO-ZnO triangles was 1.517mA/cm-2 (under UV light ~ 360 nm) vs. RHE with high incident photon to current conversion Efficiency (IPCE) of 10.41%, which is the highest among all samples fabricated in this study and also one of the highest IPCE reported so far obtained from GO-ZnO triangular shaped photocatalyst.Keywords: dislocation driven growth, zinc oxide, graphene oxide, water splitting
Procedia PDF Downloads 2961312 Influence of La on Increasing the ORR Activity of LaNi Supported with N and S Co-doped Carbon Black Electrocatalyst for Fuel Cells and Batteries
Authors: Maryam Kiani
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Non-precious electrocatalysts play a crucial role in the oxygen reduction reaction (ORR) for regenerative fuel cells and rechargeable metal-air batteries. To enhance ORR activity, La (a less active element) is added to modify the activity of Ni. This addition increases the surface contents of Ni2+, N, and S species in LaNi/N-S-C, while still maintaining a substantial specific surface area and hierarchical porosity. Therefore, the additional La is essential for the successful ORR process.In addition, the presence of extra La in the LaNi/N-S-C electrocatalyst enhances the efficiency of charge transfer and improves the surface acid-base characteristics, facilitating the adsorption of oxygen molecules during the ORR process. As a result, this superior and desirable electrocatalyst exhibits significantly enhanced ORR bifunctional activity. In fact, its ORR activity is comparable to that of the 20 wt% Pt/C.Keywords: fuel cells, batteries, dual-doped carbon black, ORR
Procedia PDF Downloads 1051311 Case Study Hyperbaric Oxygen Therapy for Idiopathic Sudden Sensorineural Hearing Loss
Authors: Magdy I. A. Alshourbagi
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Background: The National Institute for Deafness and Communication Disorders defines idiopathic sudden sensorineural hearing loss as the idiopathic loss of hearing of at least 30 dB across 3 contiguous frequencies occurring within 3 days.The most common clinical presentation involves an individual experiencing a sudden unilateral hearing loss, tinnitus, a sensation of aural fullness and vertigo. The etiologies and pathologies of ISSNHL remain unclear. Several pathophysiological mechanisms have been described including: vascular occlusion, viral infections, labyrinthine membrane breaks, immune associated disease, abnormal cochlear stress response, trauma, abnormal tissue growth, toxins, ototoxic drugs and cochlear membrane damage. The rationale for the use of hyperbaric oxygen to treat ISSHL is supported by an understanding of the high metabolism and paucity of vascularity to the cochlea. The cochlea and the structures within it require a high oxygen supply. The direct vascular supply, particularly to the organ of Corti, is minimal. Tissue oxygenation to the structures within the cochlea occurs via oxygen diffusion from cochlear capillary networks into the perilymph and the cortilymph. . The perilymph is the primary oxygen source for these intracochlear structures. Unfortunately, perilymph oxygen tension is decreased significantly in patients with ISSHL. To achieve a consistent rise of perilymph oxygen content, the arterial-perilymphatic oxygen concentration difference must be extremely high. This can be restored with hyperbaric oxygen therapy. Subject and Methods: A 37 year old man was presented at the clinic with a five days history of muffled hearing and tinnitus of the right ear. Symptoms were sudden onset, with no associated pain, dizziness or otorrhea and no past history of hearing problems or medical illness. Family history was negative. Physical examination was normal. Otologic examination revealed normal tympanic membranes bilaterally, with no evidence of cerumen or middle ear effusion. Tuning fork examination showed positive Rinne test bilaterally but with lateralization of Weber test to the left side, indicating right ear sensorineural hearing loss. Audiometric analysis confirmed sensorineural hearing loss across all frequencies of about 70- dB in the right ear. Routine lab work were all within normal limits. Clinical diagnosis of idiopathic sudden sensorineural hearing loss of the right ear was made and the patient began a medical treatment (corticosteroid, vasodilator and HBO therapy). The recommended treatment profile consists of 100% O2 at 2.5 atmospheres absolute for 60 minutes daily (six days per week) for 40 treatments .The optimal number of HBOT treatments will vary, depending on the severity and duration of symptomatology and the response to treatment. Results: As HBOT is not yet a standard for idiopathic sudden sensorineural hearing loss, it was introduced to this patient as an adjuvant therapy. The HBOT program was scheduled for 40 sessions, we used a 12-seat multi place chamber for the HBOT, which was started at day seven after the hearing loss onset. After the tenth session of HBOT, improvement of both hearing (by audiogram) and tinnitus was obtained in the affected ear (right). Conclusions: In conclusion, HBOT may be used for idiopathic sudden sensorineural hearing loss as an adjuvant therapy. It may promote oxygenation to the inner ear apparatus and revive hearing ability. Patients who fail to respond to oral and intratympanic steroids may benefit from this treatment. Further investigation is warranted, including animal studies to understand the molecular and histopathological aspects of HBOT and randomized control clinical studies.Keywords: idiopathic sudden sensorineural hearing loss (issnhl), hyperbaric oxygen therapy (hbot), the decibel (db), oxygen (o2)
Procedia PDF Downloads 4331310 The Risk Assessments of Water Quality in Selected White Water River in Malaysia
Authors: Jaffry Zakaria, Nor Azlina Hasbullah
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The research on water quality based on 'Water Quality Index' (WQI) has been on the run along Kampar River in Perak State of Malaysia. This study was conducted to achieve several key objective that determe the value of the parameters that were studied based on Water Quality Index (WQI). The parameters include Dissolved Oxygen (DO), pH, Biochemical Oxygen Demand (BOD), Chemical Oxygen Demand (COD) and Suspended Solids. In this study, three sampling stations were selected. Through observations from the researchers, several pollutions were found occurring along the research area such as the disposal of waste water directly without treatment from villagers, widespread dumping of solid waste and the development of the surrounding areas that contributed to the pollution of Sungai Kampar in Perak, Malaysia. Sungai Kampar is commonly used for water recreational activities as well as for bathing purposes. Results showed that Sungai Kampar is classified under category III. According to Interim National Water Quality Standard for Malaysia (INWQS), rivers in the third grade are clean but not suitable for river recreational activities. Therefore, there is a requirement to investigate and analysis the water quality of all white water rivers in Malaysia focusing on the area of water activities. The combination of technology and risk management based on risk assessments can help the recreational industry to survive in future.Keywords: risk assessments, White Water River, water quality index (WQI), Interim National Water Quality Standard for Malaysia (INWQS)
Procedia PDF Downloads 3511309 Insight into the Electrocatalytic Activities of Nitrogen-Doped Graphyne and Graphdiyne Families: A First-Principles Study
Authors: Bikram K. Das, Kalyan K. Chattopadhyay
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The advent of 2-D materials in the last decade has induced a fresh spur of growth in fuel cell technology as these materials have some highly promising traits that can be exploited to felicitate Oxygen Reduction Reaction (ORR) in an efficient way. Among the various 2-D carbon materials, graphyne (Gy) and graphdiyne (Gdy)1 with their intrinsic non-uniform charge distribution holds promises in this purpose and it is expected2 that substitutional Nitrogen (N) doping could further enhance their efficiency. In this regard, dispersive force corrected density functional theory is used to map the oxygen reduction reaction (ORR) kinetics of five different kinds of N doped graphyne and graphdiyne systems (namely αGy, βGy, γGy, RGy and 6,6,12Gy and Gdy) in alkaline medium. The best doping site for each of the Gy/ Gdy system is determined comparing the formation energies of the possible doping configurations. Similarly, the best di-oxygen (O₂) adsorption sites for the doped systems are identified by comparing the adsorption energies. O₂ adsorption on all N doped Gy/ Gdy systems is found to be energetically favorable. ORR on a catalyst surface may occur either via the Eley-Rideal (ER) or the Langmuir–Hinschelwood (LH) pathway. Systematic studies performed on the considered systems reveal that all of them favor the ER pathway. Further, depending on the nature of di-oxygen adsorption ORR can follow either associative or dissociative mechanism; the possibility of occurrence of both the mechanisms is tested thoroughly for each N doped Gy/ Gdy. For the ORR process, all the Gy/Gdy systems are observed to prefer the efficient four-electron pathway but the expected monotonically exothermic reaction pathway is found only for N doped 6,6,12Gy and RGy following the associative pathway and for N doped βGy, γGy and Gdy following the dissociative pathway. Further computation performed for these systems reveals that for N doped 6,6,12Gy, RGy, βGy, γGy and Gdy the overpotentials are 1.08 V, 0.94 V, 1.17 V, 1.21 V and 1.04 V respectively depicting N doped RGy is the most promising material, to carry out ORR in alkaline medium, among the considered ones. The stability of the ORR intermediate states with the variation of pH and electrode potentials is further explored with Pourbiax diagrams and the activities of these systems in the alkaline medium are compared with the prior reported B/N doped identical systems for ORR in an acidic medium in terms of a common descriptor.Keywords: graphdiyne, graphyne, nitrogen-doped, ORR
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