Search results for: Redox reactions.
239 Copper Oxide Doped Carbon Catalyst for Anodic Half-Cell of Vanadium Redox Flow Battery
Authors: Irshad U. Khan, Tanmay Paul, Murali Mohan Seepana
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This paper presents a study on synthesizing and characterizing a Copper Oxide Doped Carbon (CuO-C) electrocatalyst for the negative half-cell reactions of Vanadium Redox Flow Battery (VRFB). The CuO was synthesized using a microreactor. The electrocatalyst was characterized using X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), and Field Emission Scanning Electron Microscopy (SEM). The electrochemical performance was assessed by Linear Sweep Voltammetry (LSV). The findings suggest that the synthesized CuO exhibited favorable crystallinity, morphology, and surface area, leading to improved cell performance.
Keywords: ECSA, electrocatalyst, energy storage, Tafel.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 92238 Microfluidic Paper-Based Electrochemical Biosensor
Authors: Ahmad Manbohi, Seyyed Hamid Ahmadi
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A low-cost paper-based microfluidic device (PAD) for the multiplex electrochemical determination of glucose, uric acid, and dopamine in biological fluids was developed. Using wax printing, PAD containing a central zone, six channels, and six detection zones was fabricated, and the electrodes were printed on detection zones using pre-made electrodes template. For each analyte, two detection zones were used. The carbon working electrode was coated with chitosan-BSA (and enzymes for glucose and uric acid). To detect glucose and uric acid, enzymatic reactions were employed. These reactions involve enzyme-catalyzed redox reactions of the analytes and produce free electrons for electrochemical measurement. Calibration curves were linear (R² > 0.980) in the range of 0-80 mM for glucose, 0.09–0.9 mM for dopamine, and 0–50 mM for uric acid, respectively. Blood samples were successfully analyzed by the proposed method.
Keywords: Multiplex, microfluidic paper-based electrochemical biosensors, biomarkers, biological fluids.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1607237 Packaging Improvement for Unit Cell Vanadium Redox Flow Battery (V-RFB)
Authors: A. C. Khor, M. R. Mohamed, M. H. Sulaiman, M. R. Daud
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Packaging for vanadium redox flow battery is one of the key elements for successful implementation of flow battery in the electrical energy storage system. Usually the bulky battery size and low energy densities make this technology not available for mobility application. ThereforeRFB with improved packaging size and energy capacity are highly desirable. This paper focuses on the study of packaging improvement for unit cell V-RFB to the application on Series Hybrid Electric Vehicle. Two different designs of 25cm2 and 100cm2 unit cell V-RFB at same current density are used for the sample in this investigation. Further suggestions on packaging improvement are highlighted.
Keywords: Electric vehicle, Redox flow battery, Packaging, Vanadium.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2919236 Unraveling Biostimulation of Decolorized Mediators for Microbial Fuel Cell-Aided Textile Dye Decontamination
Authors: Pei-Lin Yueh, Bor-Yann Chen, Chuan-Chung Hsueh
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This first-attempt study revealed that decolorized intermediates of azo dyes could act as redox mediators to assist wastewater (WW) decolorization due to enhancement of electron-transport phenomena. Electrochemical impedance spectra indicated that hydroxyl and amino-substituent(s) were functional group(s) as redox-mediator(s). As azo dyes are usually multiple benzene-rings structured, their derived decolorized intermediates are likely to play roles of electron shuttles due to lower barrier of energy gap for electron shuttling. According to cyclic voltammetric profiles, redox mediating characteristics of decolorized intermediates of azo dyes (e.g., RBu171, RR198, RR141, RBk5) were clearly disclosed. With supplementation of biodecolorized metabolites of RR141 and 198, decolorization performance of could be evidently augmented. This study also suggested the optimal modes of microbial fuel cell (MFC)-assisted WW decolorization would be plug-flow or batch mode of operation with no mix. Single chamber-MFCs would be more favourable than double chamber MFCs due to non-mixing contacting reactor scheme for operation.Keywords: Redox mediators, dye decolorization, bioelectricity generation, microbial fuel cells.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2267235 Enhanced Performance of an All-Vanadium Redox Flow Battery Employing Graphene Modified Carbon Paper Electrodes
Authors: Barun Chakrabarti, Dan Nir, Vladimir Yufit, P. V. Aravind, Nigel Brandon
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Fuel cell grade gas-diffusion layer carbon paper (CP) electrodes are subjected to electrophoresis in N,N’-dimethylformamide (DMF) consisting of reduced graphene oxide (rGO). The rGO modified electrodes are compared with CP in a single asymmetric all-vanadium redox battery system (employing a double serpentine flow channel for each half-cell). Peak power densities improved by 4% when the rGO deposits were facing the ion-exchange membrane (cell performance was poorer when the rGO was facing the flow field). Cycling of the cells showed least degradation of the CP electrodes that were coated with rGO in comparison to pristine samples.Keywords: All-vanadium redox flow batteries, carbon paper electrodes, electrophoretic deposition, reduced graphene oxide.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1744234 Pd(II) Complex with 4-Bromo-Bis-Hydroxymethyl Phenol and Nicotinamide: Synthesis and Spectral Analysis
Authors: Özlen Altun, Zeliha Yoruç
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In the present study, the reactions involving 4-bromo-2,6-bis-hydroxymethyl-phenol (BBHMP) and nicotinamide (NA) in the presence of Pd(II) ions were investigated. Optimum conditions for the reactions were established as pH = 7 and λ = 450 nm. According to absorbance measurements, the molar ratio of BBHMP: NA: Pd2+ was found to be 1: 2: 2. As a result of physicochemical, spectrophotometric and thermal analyses, the reactions of BBHMP and NA with Pd(II) are complexation reactions and one molecule of BBHMP and two molecules of NA react with two molecules of the Pd(II) ion.
Keywords: Nicotinamide, 4-bromo-2, 6-bis-hydroxymethyl-phenol, Pd(II), spectral analysis, synthesis.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 729233 Establishment of Kinetic Zone Diagrams via Simulated Linear Sweep Voltammograms for Soluble-Insoluble Systems
Authors: Imene Atek, Abed M. Affoune, Hubert Girault, Pekka Peljo
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Due to the need for a rigorous mathematical model that can help to estimate kinetic properties for soluble-insoluble systems, through voltammetric experiments, a Nicholson Semi Analytical Approach was used in this work for modeling and prediction of theoretical linear sweep voltammetry responses for reversible, quasi reversible or irreversible electron transfer reactions. The redox system of interest is a one-step metal electrodeposition process. A rigorous analysis of simulated linear scan voltammetric responses following variation of dimensionless factors, the rate constant and charge transfer coefficients in a broad range was studied and presented in the form of the so called kinetic zones diagrams. These kinetic diagrams were divided into three kinetics zones. Interpreting these zones leads to empirical mathematical models which can allow the experimenter to determine electrodeposition reactions kinetics whatever the degree of reversibility. The validity of the obtained results was tested and an excellent experiment–theory agreement has been showed.
Keywords: Electrodeposition, kinetics diagrams, modeling, voltammetry.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 810232 Adverse Reactions from Contrast Media in Patients Undergone Computed Tomography at the Department of Radiology, Srinagarind Hospital
Authors: Pranee Suecharoen, Jaturat Kanpittaya
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Background: The incidence of adverse reactions to iodinated contrast media has risen. The dearth of reports on reactions to the administration of iso- and low-osmolar contrast media should be addressed. We, therefore, studied the profile of adverse reactions to iodinated contrast media; viz., (a) the body systems affected (b) causality, (c) severity, and (d) preventability. Objective: To study adverse reactions (causes and severity) to iodinated contrast media at Srinagarind Hospital. Method: Between March and July, 2015, 1,101 patients from the Department of Radiology were observed and interviewed for the occurrence of adverse reactions. The patients were classified per Naranjo’s algorithm and through use of an adverse reactions questionnaire. Results: A total of 105 cases (9.5%) reported adverse reactions (57% male; 43% female); among whom 2% were iso-osmolar vs. 98% low-osmolar. Diagnoses included hepatoma and cholangiocarcinoma (24.8%), colorectal cancer (9.5%), breast cancer (5.7%), cervical cancer (3.8%), lung cancer (2.9%), bone cancer (1.9%), and others (51.5%). Underlying diseases included hypertension and diabetes mellitus type 2. Mild, moderate, and severe adverse reactions accounted for 92, 5 and 3%, respectively. The respective groups of escalating symptoms included (a) mild urticaria, itching, rash, nausea, vomiting, dizziness, and headache; (b) moderate hypertension, hypotension, dyspnea, tachycardia and bronchospasm; and (c) severe laryngeal edema, profound hypotension, and convulsions. All reactions could be anticipated per Naranjo’s algorithm. Conclusion: Mild to moderate adverse reactions to low-osmolar contrast media were most common and these occurred immediately after administration. For patient safety and better outcomes, improving the identification of patients likely to have an adverse reaction is essential.
Keywords: Adverse reactions, contrast media, computed tomography, iodinated contrast agents.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1061231 Synthesis and Reactions of Sulphone Hydrazides
Authors: Mohamed E. Khalifa
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The chemistry of sulphone hydrazide has gained increase interest in both synthetic organic chemistry and biological fields and has considerable value. The therapeutic importance of these compounds is the attractive force to continue research in such a point. The present review covers the literature up to date for the synthesis, reactions and applications of such compounds.
Keywords: Sulphone hydrazide compounds, Reactions, Synthesis, Biological activities.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4195230 Modeling Aggregation of Insoluble Phase in Reactors
Authors: A. Brener, B. Ismailov, G. Berdalieva
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In the paper we submit the modification of kinetic Smoluchowski equation for binary aggregation applying to systems with chemical reactions of first and second orders in which the main product is insoluble. The goal of this work is to create theoretical foundation and engineering procedures for calculating the chemical apparatuses in the conditions of joint course of chemical reactions and processes of aggregation of insoluble dispersed phases which are formed in working zones of the reactor.
Keywords: Binary aggregation, Clusters, Chemical reactions, Insoluble phases.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1481229 Mathematical modeling of Bi-Substrate Enzymatic Reactions with Ping-Pong Mechanism in the Presence of Competitive Inhibitors
Authors: Rafayel A. Azizyan, Aram E. Gevogyan, Valeri B. Arakelyan, Emil S. Gevorgyan
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The mathematical modeling of different biological processes is usually used to predict or assess behavior of systems in which these processes take place. This study deals with mathematical and computer modeling of bi-substrate enzymatic reactions with ping-pong mechanism, which play an important role in different biochemical pathways. Besides that, three models of competitive inhibition were designed using different software packages. The main objective of this study is to represent the results from in silico investigation of bi-substrate enzymatic reactions with ordered pingpong mechanism in the presence of competitive inhibitors, as well as to describe in details the inhibition effects. The simulation of the models with certain kinetic parameters allowed investigating the behavior of reactions as well as determined some interesting aspects concerning influence of different cases of competitive inhibition. Simultaneous presence of two inhibitors, competitive to the S1 and S2 substrates have been studied. Moreover, we have found the pattern of simultaneous influence of both inhibitors.Keywords: Mathematical modeling, bi-substrate enzymatic reactions, ping-pong mechanism, competitive inhibition.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3592228 Effects of Level Densities and Those of a-Parameter in the Framework of Preequilibrium Model for 63,65Cu(n,xp) Reactions in Neutrons at 9 to 15 MeV
Authors: L. Yettou
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In this study, the calculations of proton emission spectra produced by 63Cu(n,xp) and 65Cu(n,xp) reactions are used in the framework of preequilibrium models using the EMPIRE code and TALYS code. Exciton Model predidtions combined with the Kalbach angular distribution systematics and the Hybrid Monte Carlo Simulation (HMS) were used. The effects of levels densities and those of a-parameter have been investigated for our calculations. The comparison with experimental data shows clear improvement over the Exciton Model and HMS calculations.
Keywords: Preequilibrium models, level density, level density a-parameter, 63Cu(n, xp) and 65Cu(n, xp) reactions.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 522227 Catalytic Decomposition of Potassium Monopersulfate. The Kinetics
Authors: Olga Gimeno, Javier Rivas, Maria Carbajo, Teresa Borralho
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Potassium monopersulfate has been decomposed in aqueous solution in the presence of Co(II). The process has been simulated by means of a mechanism based on elementary reactions. Rate constants have been taken from literature reports or, alternatively, assimilated to analogous reactions occurring in Fenton's chemistry. Several operating conditions have been successfully applied.
Keywords: Monopersulfate, Oxone®, Sulfate radicals, Water treatment
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1968226 Mathematical Modeling of Uncompetitive Inhibition of Bi-Substrate Enzymatic Reactions
Authors: Rafayel A. Azizyan, Aram E. Gevorgyan, Valeri B. Arakelyan, Emil S. Gevorgyan
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Currently, mathematical and computer modeling are widely used in different biological studies to predict or assess behavior of such a complex systems as a biological are. This study deals with mathematical and computer modeling of bi-substrate enzymatic reactions, which play an important role in different biochemical pathways. The main objective of this study is to represent the results from in silico investigation of bi-substrate enzymatic reactions in the presence of uncompetitive inhibitors, as well as to describe in details the inhibition effects. Four models of uncompetitive inhibition were designed using different software packages. Particularly, uncompetitive inhibitor to the first [ES1] and the second ([ES1S2]; [FS2]) enzyme-substrate complexes have been studied. The simulation, using the same kinetic parameters for all models allowed investigating the behavior of reactions as well as determined some interesting aspects concerning influence of different cases of uncompetitive inhibition. Besides, it has been shown that uncompetitive inhibitors exhibit specific selectivity depending on mechanism of bi-substrate enzymatic reaction.
Keywords: Mathematical modeling, bi-substrate enzymatic reactions, sequential mechanism, ping-pong mechanism, uncompetitive inhibition.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3565225 Generating Qualitative Causal Graph using Modeling Constructs of Qualitative Process Theory for Explaining Organic Chemistry Reactions
Authors: Alicia Y. C. Tang, Rukaini Abdullah, Sharifuddin M. Zain, Noorsaadah A. Rahman
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This paper discusses the causal explanation capability of QRIOM, a tool aimed at supporting learning of organic chemistry reactions. The development of the tool is based on the hybrid use of Qualitative Reasoning (QR) technique and Qualitative Process Theory (QPT) ontology. Our simulation combines symbolic, qualitative description of relations with quantity analysis to generate causal graphs. The pedagogy embedded in the simulator is to both simulate and explain organic reactions. Qualitative reasoning through a causal chain will be presented to explain the overall changes made on the substrate; from initial substrate until the production of final outputs. Several uses of the QPT modeling constructs in supporting behavioral and causal explanation during run-time will also be demonstrated. Explaining organic reactions through causal graph trace can help improve the reasoning ability of learners in that their conceptual understanding of the subject is nurtured.Keywords: Qualitative reasoning, causal graph, organicreactions, explanation, QPT, modeling constructs.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1418224 Development of a Simulator for Explaining Organic Chemical Reactions Based on Qualitative Process Theory
Authors: Alicia Y. C. Tang, Rukaini Hj. Abdullah, Sharifuddin M. Zain
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This paper discusses the development of a qualitative simulator (abbreviated QRiOM) for predicting the behaviour of organic chemical reactions. The simulation technique is based on the qualitative process theory (QPT) ontology. The modelling constructs of QPT embody notions of causality which can be used to explain the behaviour of a chemical system. The major theme of this work is that, in a qualitative simulation environment, students are able to articulate his/her knowledge through the inspection of explanations generated by software. The implementation languages are Java and Prolog. The software produces explanation in various forms that stresses on the causal theories in the chemical system which can be effectively used to support learning.Keywords: Chemical reactions, explanation, qualitative processtheory, simulation
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1563223 Dynamics in Tangible Chemical Reactions
Authors: Patrick Maier, Marcus Tönnis, Gudrun Klinker
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Spatial understanding and the understanding of dynamic change in the spatial structure of molecules during a reaction is essential for designing new molecules. Knowing the physical processes in the reactions helps to speed up the designing process. To support the designer with the correct representation of the designed molecule as well as showing the dynamic behavior of the whole reacting system is the goal of our application. Our system shows the spatial deformation of the molecules at every time interval by minimizing the energy level of the molecules. The position and orientation of the molecules can be intuitively controlled by manipulating objects of the real world using Augmented Reality techniques. Our approach has the potential to speed up the design of new molecules and help students to understand the chemical processes better.Keywords: Augmented Augmented Chemical Reactions, Augmented Reality, chemistry, education.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1778222 A Study of the Variables in the Optimisation of a Platinum Precipitation Process
Authors: Tebogo Phetla, Edison Muzenda, M Belaid
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This study investigated possible ways to improve the efficiency of the platinum precipitation process using ammonium chloride by reducing the platinum content reporting to the effluent. The ore treated consist of five platinum group metals namely, ruthenium, rhodium, iridium, platinum, palladium and a precious metal gold. Gold, ruthenium, rhodium and iridium were extracted prior the platinum precipitation process. Temperature, reducing agent, flow rate and potential difference were the variables controlled to determine the operation conditions for optimum platinum precipitation efficiency. Hydrogen peroxide was added as the oxidizing agent at the temperature of 85-90oC and potential difference of 700-850mV was the variable used to check the oxidizing state of platinum. The platinum was further purified at temperature between 60-65oC, potential difference above 700 mV, ammonium chloride of 200 l, and at these conditions the platinum content reporting to the effluent was reduced to less than 300ppm, resulting in optimum platinum precipitation efficiency and purity of 99.9%.Keywords: Platinum Group Metals (PGM), Potential difference, Precipitation, Redox reactions.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4788221 OPEN_EmoRec_II- A Multimodal Corpus of Human-Computer Interaction
Authors: Stefanie Rukavina, Sascha Gruss, Steffen Walter, Holger Hoffmann, Harald C. Traue
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OPEN_EmoRec_II is an open multimodal corpus with experimentally induced emotions. In the first half of the experiment, emotions were induced with standardized picture material and in the second half during a human-computer interaction (HCI), realized with a wizard-of-oz design. The induced emotions are based on the dimensional theory of emotions (valence, arousal and dominance). These emotional sequences - recorded with multimodal data (facial reactions, speech, audio and physiological reactions) during a naturalistic-like HCI-environment one can improve classification methods on a multimodal level. This database is the result of an HCI-experiment, for which 30 subjects in total agreed to a publication of their data including the video material for research purposes*. The now available open corpus contains sensory signal of: video, audio, physiology (SCL, respiration, BVP, EMG Corrugator supercilii, EMG Zygomaticus Major) and facial reactions annotations.Keywords: Open multimodal emotion corpus, annotated labels.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1820220 OPEN_EmoRec_II- A Multimodal Corpus of Human-Computer Interaction
Authors: Stefanie Rukavina, Sascha Gruss, Steffen Walter, Holger Hoffmann, Harald C. Traue
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OPEN_EmoRec_II is an open multimodal corpus with experimentally induced emotions. In the first half of the experiment, emotions were induced with standardized picture material and in the second half during a human-computer interaction (HCI), realized with a wizard-of-oz design. The induced emotions are based on the dimensional theory of emotions (valence, arousal and dominance). These emotional sequences - recorded with multimodal data (facial reactions, speech, audio and physiological reactions) during a naturalistic-like HCI-environment one can improve classification methods on a multimodal level. This database is the result of an HCI-experiment, for which 30 subjects in total agreed to a publication of their data including the video material for research purposes*. The now available open corpus contains sensory signal of: video, audio, physiology (SCL, respiration, BVP, EMG Corrugator supercilii, EMG Zygomaticus Major) and facial reactions annotations.Keywords: Open multimodal emotion corpus, annotated labels.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 389219 Water Soluble Chitosan Derivatives via the Freeze Concentration Technique
Authors: Senem Avaz, Alpay Taralp
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Chitosan has been an attractive biopolymer for decades, but its processability is lowered by its poor solubility, especially in physiological pH values. Freeze concentrated reactions of chitosan with several organic acids including acrylic, citraconic, itaconic, and maleic acid revealed improved solubility and morphological properties. Solubility traits were assessed with a modified ninhydrin test. Chitosan derivatives were characterized by ATR-FTIR and morphological characteristics were determined by SEM. This study is a unique approach to chemically modify chitosan to enhance water solubility.
Keywords: Chitosan, Freeze Concentration, Frozen Reactions, Ninhydrin Test, Water Soluble Chitosan.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2417218 Synthesis and Electrochemical Characterization of Iron Oxide / Activated Carbon Composite Electrode for Symmetrical Supercapacitor
Authors: PoiSim Khiew, MuiYen Ho, ThianKhoonTan, WeeSiong Chiu, Roslinda Shamsudin, Muhammad Azmi Abd-Hamid, ChinHua Chia
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In the present work, we have developed a symmetric electrochemical capacitor based on the nanostructured iron oxide (Fe3O4)-activated carbon (AC) nanocomposite materials. The physical properties of the nanocomposites were characterized by Scanning Electron Microscopy (SEM) and Brunauer-Emmett-Teller (BET) analysis. The electrochemical performances of the composite electrode in 1.0 M Na2SO3 and 1.0 M Na2SO4 aqueous solutions were evaluated using cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). The composite electrode with 4 wt% of iron oxide nanomaterials exhibits the highest capacitance of 86 F/g. The experimental results clearly indicate that the incorporation of iron oxide nanomaterials at low concentration to the composite can improve the capacitive performance, mainly attributed to the contribution of the pseudocapacitance charge storage mechanism and the enhancement on the effective surface area of the electrode. Nevertheless, there is an optimum threshold on the amount of iron oxide that needs to be incorporated into the composite system. When this optimum threshold is exceeded, the capacitive performance of the electrode starts to deteriorate, as a result of the undesired particle aggregation, which is clearly indicated in the SEM analysis. The electrochemical performance of the composite electrode is found to be superior when Na2SO3 is used as the electrolyte, if compared to the Na2SO4 solution. It is believed that Fe3O4 nanoparticles can provide favourable surface adsorption sites for sulphite (SO3 2-) anions which act as catalysts for subsequent redox and intercalation reactions.
Keywords: Metal oxide nanomaterials, Electrochemical Capacitor, Double Layer Capacitance, Pseduocapacitance
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 5644217 Atmospheric Oxidation of Carbonyls: Insight to Mechanism, Kinetic and Thermodynamic Parameters
Authors: Olumayede Emmanuel Gbenga, Adeniyi Azeez Adebayo
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Carbonyls are the first-generation products from tropospheric degradation reactions of volatile organic compounds (VOCs). This computational study examined the mechanism of removal of carbonyls from the atmosphere via hydroxyl radical. The kinetics of the reactions were computed from the activation energy (using enthalpy (ΔH**) and Gibbs free energy (ΔG**). The minimum energy path (MEP) analysis reveals that in all the molecules, the products have more stable energy than the reactants, which implies that the forward reaction is more thermodynamically favorable. The hydrogen abstraction of the aromatic aldehyde, especially without methyl substituents, is more kinetically favorable compared with the other aldehydes in the order of aromatic (without methyl or meta methyl) > alkene (short chain) > diene > long-chain aldehydes. The activation energy is much lower for the forward reaction than the backward, indicating that the forward reactions are more kinetically stable than their backward reaction. In terms of thermodynamic stability, the aromatic compounds are found to be less favorable in comparison to the aliphatic. The study concludes that the chemistry of the carbonyl bond of the aldehyde changed significantly from the reactants to the products.
Keywords: Atmospheric carbonyls, oxidation, mechanism, kinetic, thermodynamic.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 51216 Hydrodynamic Processes in Bubbly Liquid Flow in Tubes and Nozzles
Authors: Raisa Kh. Bolotnova, Marat N. Galimzianov, Andrey S. Topolnikov, Valeria A. Buzina, Uliana O. Agisheva
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The hydrodynamic processes in bubbly liquid flowing in tubes and nozzles are studied theoretically and numerically. The principal regularities of non-stationary processes of boiling liquid outflow are established under conditions of experiments when the depressurization of a tube with high pressure inside occurs. The steady-state solution of bubbly liquid flow in the nozzle of round cross section with high pressure and temperature conditions inside bubbles is studied accounting for phase transition and chemical reactions.Keywords: bubbly liquid, cavitation, chemical reactions, phase transition.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2043215 Production of Biodiesel from Roasted Chicken Fat and Methanol: Free Catalyst
Authors: Jorge Ramírez-Ortiz, Merced Martínez Rosales, Horacio Flores Zúñiga
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Transesterification reactions free of catalyst between roasted chicken fat with methanol were carried out in a batch reactor in order to produce biodiesel to temperatures from 120°C to 140°C. Parameters related to the transesterification reactions, including temperature, time and the molar ratio of chicken fat to methanol also investigated. The maximum yield of the reaction was of 98% under conditions of 140°C, 4 h of reaction time and a molar ratio of chicken fat to methanol of 1:31. The biodiesel thus obtained exhibited a viscosity of 6.3 mm2/s and a density of 895.9 kg/m3. The results showed this process can be right choice to produce biodiesel since this process does not use any catalyst. Therefore, the steps of neutralization and washing are avoided, indispensables in the case of the alkaline catalysis.
Keywords: Biodiesel, non-catalyst, roasted chicken fat, transesterification.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3158214 On the Early Development of Dispersion in Flow through a Tube with Wall Reactions
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This is a study on numerical simulation of the convection-diffusion transport of a chemical species in steady flow through a small-diameter tube, which is lined with a very thin layer made up of retentive and absorptive materials. The species may be subject to a first-order kinetic reversible phase exchange with the wall material and irreversible absorption into the tube wall. Owing to the velocity shear across the tube section, the chemical species may spread out axially along the tube at a rate much larger than that given by the molecular diffusion; this process is known as dispersion. While the long-time dispersion behavior, well described by the Taylor model, has been extensively studied in the literature, the early development of the dispersion process is by contrast much less investigated. By early development, that means a span of time, after the release of the chemical into the flow, that is shorter than or comparable to the diffusion time scale across the tube section. To understand the early development of the dispersion, the governing equations along with the reactive boundary conditions are solved numerically using the Flux Corrected Transport Algorithm (FCTA). The computation has enabled us to investigate the combined effects on the early development of the dispersion coefficient due to the reversible and irreversible wall reactions. One of the results is shown that the dispersion coefficient may approach its steady-state limit in a short time under the following conditions: (i) a high value of Damkohler number (say Da ≥ 10); (ii) a small but non-zero value of absorption rate (say Γ* ≤ 0.5).
Keywords: Dispersion coefficient, early development of dispersion, FCTA, wall reactions.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1338213 The role of pH on Cr(VI) Reduction and Removal by Arthrobacter Viscosus
Authors: B. Silva, H. Figueiredo, I. C. Neves, T. Tavares
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Arthrobacter viscosus biomass was used for Cr(VI) biosorption. The effect of pH on Cr(VI) reduction and removal from aqueous solution was studied in the range of 1-4. The Cr(VI) removal involves both redox reaction and adsorption of metal ions on biomass surface. The removal rate of Cr(VI) was enhanced by very acid conditions, while higher solution pH values favored the removal of total chromium. The best removal efficiency and uptake were reached at pH 4, 72.5 % and 12.6 mgCr/gbiomass, respectively.Keywords: Biosorption, chromium, pH, reduction.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1680212 Event Related Potentials in Terms of Visual and Auditory Stimuli
Authors: Seokbeen Lim, KyeongSeok Sim, DaKyeong Shin, Gilwon Yoon
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Event-related potential (ERP) is one of the useful tools for investigating cognitive reactions. In this study, the potential of ERP components detected after auditory and visual stimuli was examined. Subjects were asked to respond upon stimuli that were of three categories; Target, Non-Target and Standard stimuli. The ERP after stimulus was measured. In the experiment of visual evoked potentials (VEPs), the subjects were asked to gaze at a center point on the monitor screen where the stimuli were provided by the reversal pattern of the checkerboard. In consequence of the VEP experiments, we observed consistent reactions. Each peak voltage could be measured when the ensemble average was applied. Visual stimuli had smaller amplitude and a longer latency compared to that of auditory stimuli. The amplitude was the highest with Target and the smallest with Standard in both stimuli.
Keywords: Auditory stimulus, EEG, event related potential, oddball task, visual stimulus.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1252211 The Social Reaction to the Wadi Salib Riots (1959) as Reflected in Contemporary Israeli Press
Authors: Ada Yurman
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Social reactions to deviant groups with political goals follow two central patterns; one that associates personal characteristics with deviant behavior, and the other that claims that society is to be blamed for deviant behavior. The establishment usually tends towards the former notion and thus disclaims any responsibility for the distress of the underprivileged, while it is usually those who oppose government policies who believe that the fault lies with society. The purpose of the present research was to examine social reactions to the Wadi Salib riots that occurred in Haifa in 1959. These riots represented the first ethnic protest within Israeli society with its ideology of the ingathering of the exiles. The central question was whether this ideology contributed to the development of a different reaction when compared to reactions to similar events abroad. This question was examined by means of analyzing articles in the Israeli press of that period. The Israeli press representing the views of the establishment was at pains to point out that the rioters were criminals, their object being to obstruct the development of society. Opposition party leaders claimed that the rioters lived in poor circumstances, which constituted a direct result of government policies. An analysis of press reports on the Wadi Salib riots indicates a correspondence between the reaction to these events and similar events abroad. Nevertheless, the reaction to the Wadi Salib riots did not only express a conflict between different political camps, but also different symbolic universes. Each group exploited the events at Wadi Salib to prove that their ideology was the legitimate one.
Keywords: Riots, media, political deviance, symbolic universe.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 811210 Comparing Spontaneous Hydrolysis Rates of Activated Models of DNA and RNA
Authors: Mohamed S. Sasi, Adel M. Mlitan, Abdulfattah M. Alkherraz
Abstract:
This research project aims to investigate difference in relative rates concerning phosphoryl transfer relevant to biological catalysis of DNA and RNA in the pH-independent reactions. Activated Models of DNA and RNA for alkyl-aryl phosphate diesters (with 4-nitrophenyl as a good leaving group) have successfully been prepared to gather kinetic parameters. Eyring plots for the pH– independent hydrolysis of 1 and 2 were established at different temperatures in the range 100–160 °C. These measurements have been used to provide a better estimate for the difference in relative rates between the reactivity of DNA and RNA cleavage. Eyring plot gave an extrapolated rate of kH2O = 1 × 10-10 s -1 for 1 (RNA model) and 2 (DNA model) at 25°C. Comparing the reactivity of RNA model and DNA model shows that the difference in relative rates in the pH-independent reactions is surprisingly very similar at 25°. This allows us to obtain chemical insights into how biological catalysts such as enzymes may have evolved to perform their current functions.
Keywords: DNA & RNA Models, Relative Rates, Reactivity.
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