Search results for: composite cathodes of solid oxide fuel
4074 Adsorption of Atmospheric Gases Using Atomic Clusters
Authors: Vidula Shevade, B. J. Nagare, Sajeev Chacko
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First principles simulation, meaning density functional theory (DFT) calculations with plane waves and pseudopotential, has become a prized technique in condensed matter theory. Nanoparticles (NP) have been known to possess good catalytic activities, especially for molecules such as CO, O₂, etc. Among the metal NPs, Aluminium based NPs are also widely known for their catalytic properties. Aluminium metal is a lightweight, excellent electrical, and thermal abundant chemical element in the earth’s crust. Aluminium NPs, when added to solid rocket fuel, help improve the combustion speed and considerably increase combustion heat and combustion stability. Adding aluminium NPs into normal Al/Al₂O₃ powder improves the sintering processes of the ceramics, with high heat transfer performance, increased density, and enhanced thermal conductivity of the sinter. We used VASP and Gaussian 0₃ package to compute the geometries, electronic structure, and bonding properties of Al₁₂Ni as well as its interaction with O₂ and CO molecules. Several MD simulations were carried out using VASP at various temperatures from which hundreds of structures were optimized, leading to 24 unique structures. These structures were then further optimized through a Gaussian package. The lowest energy structure of Al₁₂Ni has been reported to be a singlet. However, through our extensive search, we found a triplet state to be lower in energy. In our structure, the Ni atom is found to be on the surface, which gives the non-zero magnetic moment. Incidentally, O2 and CO molecules are also triplet in nature, due to which the Al₁₂-Ni cluster is likely to facilitate the oxidation process of the CO molecule. Our results show that the most favourable site for the CO molecule is the Ni atom and that for the O₂ molecule is the Al atom that is nearest to the Ni atom. Al₁₂Ni-O₂ and Al₁₂-Ni-CO structures we extracted using VMD. Al₁₂Ni nanocluster, due to in triplet electronic structure configuration, indicates it to be a potential candidate as a catalyst for oxidation of CO molecules.Keywords: catalyst, gaussian, nanoparticles, oxidation
Procedia PDF Downloads 954073 Performance and Specific Emissions of an SI Engine Using Anhydrous Ethanol–Gasoline Blends in the City of Bogota
Authors: Alexander García Mariaca, Rodrigo Morillo Castaño, Juan Rolón Ríos
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The government of Colombia has promoted the use of biofuels in the last 20 years through laws and resolutions, which regulate their use, with the objective to improve the atmospheric air quality and to promote Colombian agricultural industry. However, despite the use of blends of biofuels with fossil fuels, the air quality in large cities does not get better, this deterioration in the air is mainly caused by mobile sources that working with spark ignition internal combustion engines (SI-ICE), operating with a mixture in volume of 90 % gasoline and 10 % ethanol called E10, that for the case of Bogota represent 84 % of the fleet. Another problem is that Colombia has big cities located above 2200 masl and there are no accurate studies on the impact that the E10 mixture could cause in the emissions and performance of SI-ICE. This study aims to establish the optimal blend between gasoline ethanol in which an SI engine operates more efficiently in urban centres located at 2600 masl. The test was developed on SI engine four-stroke, single cylinder, naturally aspirated and with carburettor for the fuel supply using blends of gasoline and anhydrous ethanol in different ratios E10, E15, E20, E40, E60, E85 and E100. These tests were conducted in the city of Bogota, which is located at 2600 masl, with the engine operating at 3600 rpm and at 25, 50, 75 and 100% of load. The results show that the performance variables as engine brake torque, brake power and brake thermal efficiency decrease, while brake specific fuel consumption increases with the rise in the percentage of ethanol in the mixture. On the other hand, the specific emissions of CO2 and NOx present increases while specific emissions of CO and HC decreases compared to those produced by gasoline. From the tests, it is concluded that the SI-ICE worked more efficiently with the E40 mixture, where was obtained an increases of the brake power of 8.81 % and a reduction on brake specific fuel consumption of 2.5 %, coupled with a reduction in the specific emissions of CO2, HC and CO in 9.72, 52.88 and 76.66 % respectively compared to the results obtained with the E10 blend. This behaviour is because the E40 mixture provides the appropriate amount of the oxygen for the combustion process, which leads to better utilization of available energy in this process, thus generating a comparable power output to the E10 mixing and producing lower emissions CO and HC with the other test blends. Nevertheless, the emission of NOx increases in 106.25 %.Keywords: emissions, ethanol, gasoline, engine, performance
Procedia PDF Downloads 3234072 CFD Study on the Effect of Primary Air on Combustion of Simulated MSW Process in the Fixed Bed
Authors: Rui Sun, Tamer M. Ismail, Xiaohan Ren, M. Abd El-Salam
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Incineration of municipal solid waste (MSW) is one of the key scopes in the global clean energy strategy. A computational fluid dynamics (CFD) model was established. In order to reveal these features of the combustion process in a fixed porous bed of MSW. Transporting equations and process rate equations of the waste bed were modeled and set up to describe the incineration process, according to the local thermal conditions and waste property characters. Gas phase turbulence was modeled using k-ε turbulent model and the particle phase was modeled using the kinetic theory of granular flow. The heterogeneous reaction rates were determined using Arrhenius eddy dissipation and the Arrhenius-diffusion reaction rates. The effects of primary air flow rate and temperature in the burning process of simulated MSW are investigated experimentally and numerically. The simulation results in bed are accordant with experimental data well. The model provides detailed information on burning processes in the fixed bed, which is otherwise very difficult to obtain by conventional experimental techniques.Keywords: computational fluid dynamics (CFD) model, waste incineration, municipal solid waste (MSW), fixed bed, primary air
Procedia PDF Downloads 4024071 Analysis of Co2 Emission from Thailand's Thermal Power Sector by Divisia Decomposition Approach
Authors: Isara Muangthai, Lin Sue Jane
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Electricity is vital to every country’s economy in the world. For Thailand, the electricity generation sector plays an important role in the economic system, and it is the largest source of CO2 emissions. The aim of this paper is to use the decomposition analysis to investigate the key factors contributing to the changes of CO2 emissions from the electricity sector. The decomposition analysis has been widely used to identify and assess the contributors to the changes in emission trends. Our study adopted the Divisia index decomposition to identify the key factors affecting the evolution of CO2 emissions from Thailand’s thermal power sector during 2000-2011. The change of CO2 emissions were decomposed into five factors, including: Emission coefficient, heat rate, fuel intensity, electricity intensity, and economic growth. Results have shown that CO2 emission in Thailand’s thermal power sector increased 29,173 thousand tons during 2000-2011. Economic growth was found to be the primary factor for increasing CO2 emissions, while the electricity intensity played a dominant role in decreasing CO2 emissions. The increasing effect of economic growth was up to 55,924 million tons of CO2 emissions because the growth and development of the economy relied on a large electricity supply. On the other hand, the shifting of fuel structure towards a lower-carbon content resulted in CO2 emission decline. Since the CO2 emissions released from Thailand’s electricity generation are rapidly increasing, the Thailand government will be required to implement a CO2 reduction plan in the future. In order to cope with the impact of CO2 emissions related to the power sector and to achieve sustainable development, this study suggests that Thailand’s government should focus on restructuring the fuel supply in power generation towards low carbon fuels by promoting the use of renewable energy for electricity, improving the efficiency of electricity use by reducing electricity transmission and the distribution of line losses, implementing energy conservation strategies by enhancing the purchase of energy-saving products, substituting the new power plant technology in the old power plants, promoting a shift of economic structure towards less energy-intensive services and orienting Thailand’s power industry towards low carbon electricity generation.Keywords: co2 emission, decomposition analysis, electricity generation, energy consumption
Procedia PDF Downloads 4824070 Aerogel Fabrication Via Modified Rapid Supercritical Extraction (RSCE) Process - Needle Valve Pressure Release
Authors: Haibo Zhao, Thomas Andre, Katherine Avery, Alper Kiziltas, Deborah Mielewski
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Silica aerogels were fabricated through a modified rapid supercritical extraction (RSCE) process. The silica aerogels were made using a tetramethyl orthosilicate precursor and then placed in a hot press and brought to the supercritical point of the solvent, ethanol. In order to control the pressure release without a pressure controller, a needle valve was used. The resulting aerogels were then characterized for their physical and chemical properties and compared to silica aerogels created using similar methods. The aerogels fabricated using this modified RSCE method were found to have similar properties to those in other papers using the unmodified RSCE method. Silica aerogel infused glass blanket composite, graphene reinforced silica aerogel composite were also successfully fabricated by this new method. The modified RSCE process and system is a prototype for better gas outflow control with a lower cost of equipment setup. Potentially, this process could be evolved to a continuous low-cost high-volume production process to meet automotive requirements.Keywords: aerogel, automotive, rapid supercritical extraction process, low cost production
Procedia PDF Downloads 1844069 Polymer-Layered Gold Nanoparticles: Preparation, Properties and Uses of a New Class of Materials
Authors: S. M. Chabane sari S. Zargou, A.R. Senoudi, F. Benmouna
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Immobilization of nano particles (NPs) is the subject of numerous studies pertaining to the design of polymer nano composites, supported catalysts, bioactive colloidal crystals, inverse opals for novel optical materials, latex templated-hollow inorganic capsules, immunodiagnostic assays; “Pickering” emulsion polymerization for making latex particles and film-forming composites or Janus particles; chemo- and biosensors, tunable plasmonic nano structures, hybrid porous monoliths for separation science and technology, biocidal polymer/metal nano particle composite coatings, and so on. Particularly, in the recent years, the literature has witnessed an impressive progress of investigations on polymer coatings, grafts and particles as supports for anchoring nano particles. This is actually due to several factors: polymer chains are flexible and may contain a variety of functional groups that are able to efficiently immobilize nano particles and their precursors by dispersive or van der Waals, electrostatic, hydrogen or covalent bonds. We review methods to prepare polymer-immobilized nano particles through a plethora of strategies in view of developing systems for separation, sensing, extraction and catalysis. The emphasis is on methods to provide (i) polymer brushes and grafts; (ii) monoliths and porous polymer systems; (iii) natural polymers and (iv) conjugated polymers as platforms for anchoring nano particles. The latter range from soft bio macromolecular species (proteins, DNA) to metallic, C60, semiconductor and oxide nano particles; they can be attached through electrostatic interactions or covalent bonding. It is very clear that physicochemical properties of polymers (e.g. sensing and separation) are enhanced by anchored nano particles, while polymers provide excellent platforms for dispersing nano particles for e.g. high catalytic performances. We thus anticipate that the synergetic role of polymeric supports and anchored particles will increasingly be exploited in view of designing unique hybrid systems with unprecedented properties.Keywords: gold, layer, polymer, macromolecular
Procedia PDF Downloads 3914068 Durability Performances of Epoxy Resin/TiO₂ Composited Alkali-Activated Slag/Fly Ash Pastes in Phosphoric Acid Solution
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Laden with phosphates at a low pH value, sewage wastewater aggressive environments constitute a great threat to concrete-based pipes which is made of alkaline cementitious materials such as ordinary Portland cement (OPC). As a promising alternative for OPC-based binders, alkali-activated slag/fly ash (AASF) cementitious binders are generally believed to gain similar or better properties compared to OPC-based counterparts, especially durability. However, there is limited research on the performance of AASF binders in phosphoric acid solution. Moreover, the behavior of AASF binders composited with epoxy resin/TiO₂ when exposed to acidic media has been rarely explored. In this study, the performance of AASF paste with the precursor slag:fly ash (50:50 in mass ratio) enhanced with epoxy resin/TiO₂ composite in phosphoric acid solution (pH = 3.0-4.0) was investigated. The exposure towards acid attack lasted for 90 days. The same AASF mixture without resin/TiO₂ composite was used as a reference. The compressive strength and porous-related properties prior to acidic immersion were tested. The mass variations and degradation depth of the two mixtures of binders were also monitored which is based on phenolphthalein-videomicroscope method. The results show that the binder with epoxy resin/TiO₂ addition gained a higher compressive strength and lower water absorption than the reference. In addition, it also displayed a higher resistance towards acid attack indicated by a less mass loss and less degradation depth compared to the control sample. This improvement can be attributed to a dense microstructure evidenced by the higher compressive strength and related porous structures. It can be concluded that the microstructure can be improved by adding epoxy resin/TiO₂ composite in order to enhance the resistance of AASF binder towards acid attacks.Keywords: alkali-activated paste, epoxy resin/TiO₂, composites, mechanical properties, phosphoric acid
Procedia PDF Downloads 1214067 Modeling and Benchmarking the Thermal Energy Performance of Palm Oil Production Plant
Authors: Mathias B. Michael, Esther T. Akinlabi, Tien-Chien Jen
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Thermal energy consumption in palm oil production plant comprises mainly of steam, hot water and hot air. In most efficient plants, hot water and air are generated from the steam supply system. Research has shown that thermal energy utilize in palm oil production plants is about 70 percent of the total energy consumption of the plant. In order to manage the plants’ energy efficiently, the energy systems are modelled and optimized. This paper aimed to present the model of steam supply systems of a typical palm oil production plant in Ghana. The models include exergy and energy models of steam boiler, steam turbine and the palm oil mill. The paper further simulates the virtual plant model to obtain the thermal energy performance of the plant under study. The simulation results show that, under normal operating condition, the boiler energy performance is considerably below the expected level as a result of several factors including intermittent biomass fuel supply, significant moisture content of the biomass fuel and significant heat losses. The total thermal energy performance of the virtual plant is set as a baseline. The study finally recommends number of energy efficiency measures to improve the plant’s energy performance.Keywords: palm biomass, steam supply, exergy and energy models, energy performance benchmark
Procedia PDF Downloads 3504066 Electronic Nose for Monitoring Fungal Deterioration of Stored Rapeseed
Authors: Robert Rusinek, Marek Gancarz, Jolanta Wawrzyniak, Marzena Gawrysiak-Witulska, Dariusz Wiącek, Agnieszka Nawrocka
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Investigations were performed to examine the possibility of using an electronic nose to monitor the development of fungal microflora during the first eighteen days of rapeseed storage. The Cyranose 320 device with polymer-composite sensors was used. Each sample of infected material was divided into three parts, and the degree of spoilage was measured in three ways: analysis of colony forming units (CFU), determination of ergosterol content (ERG), and measurement with the eNose. Principal component analysis (PCA) was performed on the generated patterns of signals, and six groups of different spoilage levels were isolated. The electronic nose with polymer-composite sensors under laboratory conditions distinguished between species of spoiled and unspoiled seeds with 100% accuracy. Despite some minor differences in the CFU and ergosterol content, the electronic nose provided responses correctly corresponding to the level of spoilage with 85% accuracy. Therefore, the main conclusion from the study is that the electronic nose is a promising tool for quick and non-destructive detection of the level of oil seed spoilage. The research was supported by the National Centre for Research and Development (NCBR), Grant No. PBS2/A8/22/2013.Keywords: colony forming units, electronic nose, ergosterol, rapeseed
Procedia PDF Downloads 3214065 Light Weight Fly Ash Based Composite Material for Thermal Insulation Applications
Authors: Bharath Kenchappa, Kunigal Shivakumar
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Lightweight, low thermal conductivity and high temperature resistant materials or the system with moderate mechanical properties and capable of taking high heating rates are needed in both commercial and military applications. A single material with these attributes is very difficult to find and one needs to come with innovative ideas to make such material system using what is available. To bring down the cost of the system, one has to be conscious about the cost of basic materials. Such a material system can be called as the thermal barrier system. This paper focuses on developing, testing and characterization of material system for thermal barrier applications. The material developed is porous, low density, low thermal conductivity of 0.1062 W/m C and glass transition temperature about 310 C. Also, the thermal properties of the developed material was measured in both longitudinal and thickness direction to highlight the fact that the material shows isotropic behavior. The material is called modified Eco-Core which uses only less than 9% weight of high-char resin in the composite. The filler (reinforcing material) is a component of fly ash called Cenosphere, they are hollow micro-bubbles made of ceramic materials. Special mixing-technique is used to surface coat the fillers with a thin layer of resin to develop a point-to-point contact of particles. One could use commercial ceramic micro-bubbles instead of Cenospheres, but it is expensive. The bulk density of Cenospheres is about 0.35 g/cc and we could accomplish the composite density of about 0.4 g/cc. One percent filler weight of 3mm length standard drywall grade fibers was used to bring the added toughness. Both thermal and mechanical characterization was performed and properties are documented. For higher temperature applications (up to 1,000 C), a hybrid system was developed using an aerogel mat. Properties of combined material was characterized and documented. Thermal tests were conducted on both the bare modified Eco-Core and hybrid materials to assess the suitability of the material to a thermal barrier application. The hybrid material system was found to meet the requirement of the application.Keywords: aerogel, fly ash, porous material, thermal barrier
Procedia PDF Downloads 1114064 Geospatial Assessment of Waste Disposal System in Akure, Ondo State, Nigeria
Authors: Babawale Akin Adeyemi, Esan Temitayo, Adeyemi Olabisi Omowumi
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The paper analyzed waste disposal system in Akure, Ondo State using GIS techniques. Specifically, the study identified the spatial distribution of collection points and existing dumpsite; evaluated the accessibility of waste collection points and their proximity to each other with the view of enhancing better performance of the waste disposal system. Data for the study were obtained from both primary and secondary sources. Primary data were obtained through the administration of questionnaire. From field survey, 35 collection points were identified in the study area. 10 questionnaires were administered around each collection point making a total of 350 questionnaires for the study. Also, co-ordinates of each collection point were captured using a hand-held Global Positioning System (GPS) receiver which was used to analyze the spatial distribution of collection points. Secondary data used include administrative map collected from Akure South Local Government Secretariat. Data collected was analyzed using the GIS analytical tools which is neighborhood function. The result revealed that collection points were found in all parts of Akure with the highest concentration around the central business district. The study also showed that 80% of the collection points enjoyed efficient waste service while the remaining 20% does not. The study further revealed that most collection points in the core of the city were in close proximity to each other. In conclusion, the paper revealed the capability of Geographic Information System (GIS) as a technique in management of waste collection and disposal technique. The application of Geographic Information System (GIS) in the evaluation of the solid waste management in Akure is highly invaluable for the state waste management board which could also be beneficial to other states in developing a modern day solid waste management system. Further study on solid waste management is also recommended especially for updating of information on both spatial and non-spatial data.Keywords: assessment, geospatial, system, waste disposal
Procedia PDF Downloads 2394063 Sorption Properties of Biological Waste for Lead Ions from Aqueous Solutions
Authors: Lucia Rozumová, Ivo Šafařík, Jana Seidlerová, Pavel Kůs
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Biosorption by biological waste materials from agriculture industry could be a cost-effective technique for removing metal ions from wastewater. The performance of new biosorbent systems, consisting of the waste matrixes which were magnetically modified by iron oxide nanoparticles, for the removal of lead ions from an aqueous solution was tested. The use of low-cost and eco-friendly adsorbents has been investigated as an ideal alternative to the current expensive methods. This article deals with the removal of metal ions from aqueous solutions by modified waste products - orange peels, sawdust, peanuts husks, used tea leaves and ground coffee sediment. Magnetically modified waste materials were suspended in methanol and then was added ferrofluid (magnetic iron oxide nanoparticles). This modification process gives the predictions for the formation of the smart materials with new properties. Prepared material was characterized by using scanning electron microscopy, specific surface area and pore size analyzer. Studies were focused on the sorption and desorption properties. The changes of iron content in magnetically modified materials after treatment were observed as well. Adsorption process has been modelled by adsorption isotherms. The results show that magnetically modified materials during the dynamic sorption and desorption are stable at the high adsorbed amount of lead ions. The results of this study indicate that the biological waste materials as sorbent with new properties are highly effective for the treatment of wastewater.Keywords: biological waste, sorption, metal ions, ferrofluid
Procedia PDF Downloads 1414062 Functionalization of Polypropylene with Chiral Monomer for Improving Hemocompatibility
Authors: Xiaodong Xu, Dan Zhao, Xiujuan Chang, Chunming Li, Huiyun Zhou, Xin Li, Qiang Shi, Shifang Luan, Jinghua Yin
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Polypropylene (PP) is one of the most commonly used plastics because of its low density, outstanding mechanical properties, and low cost. However, its drawbacks such as low surface energy, poor dyeability, lack of chemical functionalities, and poor compatibility with polar polymers and inorganic materials, have restricted the application of PP. To expand its application in biomedical materials, functionalization is considered to be the most effective way. In this study, PP was functionalized with a chiral monomer, (S)-1-acryloylpyrrolidine-2-carboxylic acid ((S)-APCA), by free-radical grafting in the solid phase. The grafting degree of PP-g-APCA was determined by chemical titration method, and the chemical structure of functionalized PP was characterized by FTIR spectroscopy, which confirmed that the chiral monomer (S)-APCA was successfully grafted onto PP. Static water contact angle results suggested that the surface hydrophilicity of PP was significantly improved by solid phase grafting and assistance of surface water treatment. Protein adsorption and platelet adhesion results showed that hemocompatibility of PP was greatly improved by grafting the chiral monomer.Keywords: functionalization, polypropylene, chiral monomer, hemocompatibility
Procedia PDF Downloads 3814061 Biomass Production Improvement of Beauveria bassiana at Laboratory Scale for a Biopesticide Development
Authors: G. Quiroga-Cubides, M. Cruz, E. Grijalba, J. Sanabria, A. Ceballos, L. García, M. Gómez
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Beauveria sp. has been used as an entomopathogenic microorganism for biological control of various plant pests such as whitefly, thrips, aphids and chrysomelidaes (including Cerotoma tingomariana species), which affect soybean crops in Colombia´s Altillanura region. Therefore, a biopesticide prototype based on B. bassiana strain Bv060 was developed at Corpoica laboratories. For the production of B. bassiana conidia, a baseline fermentation was performed at laboratory in a solid medium using broken rice as a substrate, a temperature of 25±2 °C and a relative humidity of 60±10%. The experimental design was completely randomized, with a three-time repetition. These culture conditions resulted in an average conidial concentration of 1.48x10^10 conidia/g, a yield of 13.07 g/kg dry substrate and a productivity of 8.83x10^7 conidia/g*h were achieved. Consequently, the objective of this study was to evaluate the influence of the particle size reduction of rice (<1 mm) and the addition of a complex nitrogen source over conidia production and efficiency parameters in a solid-state fermentation, in a completely randomized experiment with a three-time repetition. For this aim, baseline fermentation conditions of temperature and humidity were employed in a semisolid culture medium with powdered rice (10%) and a complex nitrogen source (8%). As a result, it was possible to increase conidial concentration until 9.87x10^10 conidia/g, yield to 87.07 g/g dry substrate and productivity to 3.43x10^8 conidia/g*h. This suggested that conidial concentration and yield in semisolid fermentation increased almost 7 times compared with baseline while the productivity increased 4 times. Finally, the designed system for semisolid-state fermentation allowed to achieve an easy conidia recovery, which means reduction in time and costs of the production process.Keywords: Beauveria bassiana, biopesticide, solid state fermentation, semisolid medium culture
Procedia PDF Downloads 3014060 Identification of Fluorinated Methylsiloxanes in Environmental Matrices Near a Manufacturing Plant in Eastern China
Authors: Liqin Zhi, Lin Xu, Wenxia Wei, Yaqi Cai
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Recently, replacing some of the methyl groups in polydimethylsiloxanes with other functional groups has been extensively explored to obtain modified polymethylsiloxanes with special properties that enable new industrial applications. Fluorinated polysiloxanes, one type of these modified polysiloxanes, are based on a siloxane backbone with fluorinated groups attached to the side chains of polysiloxanes. As a commercially significant material, poly[methyl(trifluoropropyl)siloxane] (PMTFPS) has sufficient fluorine content to be useful as a fuel-and oil-resistant elastomer, which combines both the chemical and solvent resistance of fluorocarbons and the wide temperature range applicability of organosilicones. PMTFPS products can be used in many applications in which resistance to fuel, oils and hydrocarbon solvents is required, including use as lubricants in bearings, sealants, and elastomers for aerospace and automotive fuel systems. Fluorinated methylsiloxanes, a type of modified methylsiloxane, include tris(trifluoropropyl)trimethylcyclotrisiloxane (D3F) and tetrakis(trifluoropropyl)tetramethylcyclotetrasiloxane (D4F), both of which contain trifluoropropyl groups in the side chains of cyclic methylsiloxanes. D3F, as an important monomer in the manufacture of PMTFPS, is often present as an impurity in PMTFPS. In addition, the synthesis of PMTFPS from D3F could form other fluorinated methylsiloxanes with low molecular weights (such as D4F). The yearly demand and production volumes of D3F increased rapidly all over world. Fluorinated methylsiloxanes might be released into the environment via different pathways during the production and application of PMTFPS. However, there is a lack of data concerning the emission, environmental occurrence and potential environmental impacts of fluorinated methylsiloxanes. Here, we report fluorinated methylsiloxanes (D3F and D4F) in surface water and sediment samples collected near a fluorinated methylsiloxane manufacturing plant in Weihai, China. The concentrations of D3F and D4F in surface water ranged from 3.29 to 291 ng/L and from 7.02 to 168 ng/L, respectively. The concentrations of D3F and D4F in sediment ranged from 11.8 to 5478 ng/g and from 17.2 to 6277 ng/g, respectively. In simulation experiment, the half-lives of D3F and D4F at different pH values (5.2, 6.4, 7.2, 8.3 and 9.2) varied from 80.6 to 154 h and from 267 to 533 h respectively. CF₃(CH₂)₂MeSi(OH)₂ was identified as one of the main hydrolysis products of fluorinated methylsiloxanes. It was also detected in the river samples at concentrations of 72.1-182.9 ng/L. In addition, the slow rearrangement of D3F (spiked concentration = 500 ng/L) to D4F (concentration = 11.0-22.7 ng/L) was also found during 336h hydrolysis experiment.Keywords: fluorinated methylsiloxanes, environmental matrices, hydrolysis, sediment
Procedia PDF Downloads 1154059 Production of Neutrons by High Intensity Picosecond Laser Interacting with Thick Solid Target at XingGuangIII
Authors: Xi Yuan, Xuebin Zhu, Bojun Li
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This work describes the experiment to produce high-intensity pulsed neutron beams on XingGuangIII laser facility. The high-intensity laser is utilized to drive protons and deuterons, which hit a thick solid target to produce neutrons. The pulse duration of the laser used in the experiment is about 0.8 ps, and the laser energy is around 100 J. Protons and deuterons are accelerated from a 10-μm-thick deuterated polyethylene (CD₂) foil and diagnosed by a Thomson parabola ion-spectrometer. The energy spectrum of neutrons generated via ⁷Li(d,n) and ⁷Li(p,n) reaction when proton and deuteron beams hit a 5-mm-thick LiF target is measured by a scintillator-based time-of-flight spectrometer. Results from the neuron measurements show that the maximum neutron energy is about 12.5 MeV and the neutron yield is up to 2×10⁹/pulse. The high-intensity pulsed neutron beams demonstrated in this work can provide a valuable neutron source for material research, fast neutron induced fission research, and so on.Keywords: picosecond laser driven, fast neutron, time-of-flight spectrometry, XinggungIII
Procedia PDF Downloads 1654058 Studies on the Spontaneous Reductive Decomposition Behavior of Permanganate in the Water
Authors: Hyun Kyu Lee, Won Zin Oh, June Hyun Kim, Jin Hee Kim, Sang June Choi, Hak Soo Kim
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The oxidative dissolution of chromium oxide by manganese oxides including permanganate have been widely studied not only for the chemical decontamination of nuclear power plant, but also for the environmental control of the toxic chromate caused by naturally occurring manganese dioxide. However, little attention has been made for the spontaneous reductive decomposition of permanganate in the water, which is a competing reaction with the oxidation of the chromium oxide by permanganate. The objective of this study is to investigate the spontaneous reductive decomposition behavior of permanganate in the water, depending on the variation of acidity, temperature and concentration. Results of the experiments showed that the permanganate reductive decomposition product is manganese dioxide, and this reaction accompanies with the same molar amount of hydrogen ion consumption. Therefore, at the neutral condition (ex. potassium permanganate solution without acidic chemicals), the permanganate do not reduce by itself at any condition of temperature, concentration within the experimental range. From the results, we confirmed that the oxidation reaction for the permanganate reduction is the water oxidation that is accompanying the oxygen evolution. The experimental results on the reductive decomposition behavior of permanganate in the water also showed that the degree and rate of permanganate reduction increases with the temperature, acidity and concentration. The spontaneous decomposition of the permanganates obtained in the studies would become a good reference to select the operational condition, such as temperature, acidity and concentration, for the chemical decontamination of nuclear power plants.Keywords: permanganate reduction, spontaneous decomposition, water oxidation, acidity, temperature, permanganate concentration, chemical decontamination, nuclear power plant
Procedia PDF Downloads 3414057 Mechanical and Tribological Properties of Al7075 Reinforced with Graphene-Beryl Hybrid Metal Matrix Composites
Authors: Mohamed Haneef, Shanawaz Patil, Syed Zameer, Mohammed Mohsin Ali
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The emerging technologies and trends of present generation requires downsizing the unwieldy structures to light weight structures on one hand and integration of varied properties on other hand to meet the application demands. In the present investigation an attempt is made to familiarize and best possibilities of reinforcing agent in aluminum 7075 matrix with naturally occurring beryl (Be) and graphene (Gr) to develop a new hybrid composite material. A stir casting process was used to fabricate with fixed volume fraction of 6wt% weight beryl and various volume fractions of 0.5wt%, 1wt%, 1.5wt% and 2wt% of graphene. The properties such as tensile strength, hardness and dry sliding wear behavior of hybrid composites were examined. The crystallite size and morphology of the graphene and beryl particles were analyzed with X-ray diffraction (XRD) and scanning electron microscopy (SEM) respectively. It was observed that ultimate tensile strength and hardness of the hybrid composite increased with increasing reinforcement volume fraction as compared to specimen without reinforcement additions. The dry sliding wear behavior of the hybrid composites decreases as compared to Al7075 alloy without reinforcement.Keywords: Al7075, beryl, graphene, TEM, wear
Procedia PDF Downloads 1514056 The Relations of Volatile Compounds, Some Parameters and Consumer Preference of Commercial Fermented Milks in Thailand
Authors: Suttipong Phosuksirikul, Rawichar Chaipojjana, Arunsri Leejeerajumnean
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The aim of research was to define the relations between volatile compounds, some parameters (pH, titratable acidity (TA), total soluble solid (TSS), lactic acid bacteria count) and consumer preference of commercial fermented milks. These relations tend to be used for controlling and developing new fermented milk product. Three leading commercial brands of fermented milks in Thailand were evaluated by consumers (n=71) using hedonic scale for four attributes (sweetness, sourness, flavour, and overall liking), volatile compounds using headspace-solid phase microextraction (HS-SPME) GC-MS, pH, TA, TSS and LAB count. Then the relations were analyzed by principal component analysis (PCA). The PCA data showed that all of four attributes liking scores were related to each other. They were also related to TA, TSS and volatile compounds. The related volatile compounds were mainly on fermented produced compounds including acetic acid, furanmethanol, furfural, octanoic acid and the volatiles known as artificial fruit flavour (beta pinene, limonene, vanillin, and ethyl vanillin). These compounds were provided the information about flavour addition in commercial fermented milk in Thailand.Keywords: fermented milk, volatile compounds, preference, PCA
Procedia PDF Downloads 3644055 A Study on Mesh Size Dependency on Bed Expansion Zone in a Three-Phase Fluidized Bed Reactor
Authors: Liliana Patricia Olivo Arias
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The present study focused on the hydrodynamic study in a three-phase fluidized bed reactor and the influence of important aspects, such as volume fractions (Hold up), velocity magnitude of gas, liquid and solid phases (hydrogen, gasoil, and gamma alumina), interactions of phases, through of drag models with the k-epsilon turbulence model. For this purpose was employed a Euler-Euler model and also considers the system is constituted of three phases, gaseous, liquid and solid, characterized by its physical and thermal properties, the transport processes that are developed within the transient regime. The proposed model of the three-phase fluidized bed reactor was solved numerically using the ANSYS-Fluent software with different mesh refinements on bed expansion zone in order to observe the influence of the hydrodynamic parameters and convergence criteria. With this model and the numerical simulations obtained for its resolution, it was possible to predict the results of the volume fractions (Hold ups) and the velocity magnitude for an unsteady system from the initial and boundaries conditions were established.Keywords: three-phase fluidized bed system, CFD simulation, mesh dependency study, hydrodynamic study
Procedia PDF Downloads 1664054 Large Eddy Simulation of Particle Clouds Using Open-Source CFD
Authors: Ruo-Qian Wang
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Open-source CFD has become increasingly popular and promising. The recent progress in multiphase flow enables new CFD applications, which provides an economic and flexible research tool for complex flow problems. Our numerical study using four-way coupling Euler-Lagrangian Large-Eddy Simulations to resolve particle cloud dynamics with OpenFOAM and CFDEM will be introduced: The fractioned Navier-Stokes equations are numerically solved for fluid phase motion, solid phase motion is addressed by Lagrangian tracking for every single particle, and total momentum is conserved by fluid-solid inter-phase coupling. The grid convergence test was performed, which proves the current resolution of the mesh is appropriate. Then, we validated the code by comparing numerical results with experiments in terms of particle cloud settlement and growth. A good comparison was obtained showing reliability of the present numerical schemes. The time and height at phase separations were defined and analyzed for a variety of initial release conditions. Empirical formulas were drawn to fit the results.Keywords: four-way coupling, dredging, land reclamation, multiphase flows, oil spill
Procedia PDF Downloads 4294053 Thermodynamic Modeling of Cryogenic Fuel Tanks with a Model-Based Inverse Method
Authors: Pedro A. Marques, Francisco Monteiro, Alessandra Zumbo, Alessia Simonini, Miguel A. Mendez
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Cryogenic fuels such as Liquid Hydrogen (LH₂) must be transported and stored at extremely low temperatures. Without expensive active cooling solutions, preventing fuel boil-off over time is impossible. Hence, one must resort to venting systems at the cost of significant energy and fuel mass loss. These losses increase significantly in propellant tanks installed on vehicles, as the presence of external accelerations induces sloshing. Sloshing increases heat and mass transfer rates and leads to significant pressure oscillations, which might further trigger propellant venting. To make LH₂ economically viable, it is essential to minimize these factors by using advanced control techniques. However, these require accurate modelling and a full understanding of the tank's thermodynamics. The present research aims to implement a simple thermodynamic model capable of predicting the state of a cryogenic fuel tank under different operating conditions (i.e., filling, pressurization, fuel extraction, long-term storage, and sloshing). Since this model relies on a set of closure parameters to drive the system's transient response, it must be calibrated using experimental or numerical data. This work focuses on the former approach, wherein the model is calibrated through an experimental campaign carried out on a reduced-scale model of a cryogenic tank. The thermodynamic model of the system is composed of three control volumes: the ullage, the liquid, and the insulating walls. Under this lumped formulation, the governing equations are derived from energy and mass balances in each region, with mass-averaged properties assigned to each of them. The gas-liquid interface is treated as an infinitesimally thin region across which both phases can exchange mass and heat. This results in a coupled system of ordinary differential equations, which must be closed with heat and mass transfer coefficients between each control volume. These parameters are linked to the system evolution via empirical relations derived from different operating regimes of the tank. The derivation of these relations is carried out using an inverse method to find the optimal relations that allow the model to reproduce the available data. This approach extends classic system identification methods beyond linear dynamical systems via a nonlinear optimization step. Thanks to the data-driven assimilation of the closure problem, the resulting model accurately predicts the evolution of the tank's thermodynamics at a negligible computational cost. The lumped model can thus be easily integrated with other submodels to perform complete system simulations in real time. Moreover, by setting the model in a dimensionless form, a scaling analysis allowed us to relate the tested configurations to a representative full-size tank for naval applications. It was thus possible to compare the relative importance of different transport phenomena between the laboratory model and the full-size prototype among the different operating regimes.Keywords: destratification, hydrogen, modeling, pressure-drop, pressurization, sloshing, thermodynamics
Procedia PDF Downloads 924052 Industrial Prototype for Hydrogen Separation and Purification: Graphene Based-Materials Application
Authors: Juan Alfredo Guevara Carrio, Swamy Toolahalli Thipperudra, Riddhi Naik Dharmeshbhai, Sergio Graniero Echeverrigaray, Jose Vitorio Emiliano, Antonio Helio Castro
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In order to advance the hydrogen economy, several industrial sectors can potentially benefit from the trillions of stimulus spending for post-coronavirus. Blending hydrogen into natural gas pipeline networks has been proposed as a means of delivering it during the early market development phase, using separation and purification technologies downstream to extract the pure H₂ close to the point of end-use. This first step has been mentioned around the world as an opportunity to use existing infrastructures for immediate decarbonisation pathways. Among current technologies used to extract hydrogen from mixtures in pipelines or liquid carriers, membrane separation can achieve the highest selectivity. The most efficient approach for the separation of H₂ from other substances by membranes is offered from the research of 2D layered materials due to their exceptional physical and chemical properties. Graphene-based membranes, with their distribution of pore sizes in nanometers and angstrom range, have shown fundamental and economic advantages over other materials. Their combination with the structure of ceramic and geopolymeric materials enabled the synthesis of nanocomposites and the fabrication of membranes with long-term stability and robustness in a relevant range of physical and chemical conditions. Versatile separation modules have been developed for hydrogen separation, which adaptability allows their integration in industrial prototypes for applications in heavy transport, steel, and cement production, as well as small installations at end-user stations of pipeline networks. The developed membranes and prototypes are a practical contribution to the technological challenge of supply pure H₂ for the mentioned industries as well as hydrogen energy-based fuel cells.Keywords: graphene nano-composite membranes, hydrogen separation and purification, separation modules, indsutrial prototype
Procedia PDF Downloads 1594051 A New Optimization Algorithm for Operation of a Microgrid
Authors: Sirus Mohammadi, Rohala Moghimi
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The main advantages of microgrids are high energy efficiency through the application of Combined Heat and Power (CHP), high quality and reliability of the delivered electric energy and environmental and economic advantages. This study presents an energy management system (EMS) to optimize the operation of the microgrid (MG). In this paper an Adaptive Modified Firefly Algorithm (AMFA) is presented for optimal operation of a typical MG with renewable energy sources (RESs) accompanied by a back-up Micro-Turbine/Fuel Cell/Battery hybrid power source to level the power mismatch or to store the energy surplus when it’s needed. The problem is formulated as a nonlinear constraint problem to minimize the total operating cost. The management of Energy storage system (ESS), economic load dispatch and operation optimization of distributed generation (DG) are simplified into a single-object optimization problem in the EMS. The proposed algorithm is tested on a typical grid-connected MG including WT/PV/Micro Turbine/Fuel Cell and Energy Storage Devices (ESDs) then its superior performance is compared with those from other evolutionary algorithms such as Genetic Algorithm (GA), Particle Swarm Optimization (PSO), Fuzzy Self Adaptive PSO (FSAPSO), Chaotic Particle PSO (CPSO), Adaptive Modified PSO (AMPSO), and Firefly Algorithm (FA).Keywords: microgrid, operation management, optimization, firefly algorithm (AMFA)
Procedia PDF Downloads 3414050 The Behavior of Masonry Wall Constructed Using Biaxial Interlocking Concrete Block, Solid Concrete Block and Cement Sand Brick Subjected to the Compressive Load
Authors: Fauziah Aziz, Mohd.fadzil Arshad, Hazrina Mansor, Sedat Kömürcü
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Masonry is an isotropic and heterogeneous material due to the presence of the different components within the assembly process. Normally the mortar plays a significant role in the compressive behavior of the traditional masonry structures. Biaxial interlocking concrete block is a masonry unit that comes out with the interlocking concept. This masonry unit can improve the quality of the construction process, reduce the cost of labor, reduce high skill workmanship, and speeding the construction time. Normally, the interlocking concrete block masonry unit in the market place was designed in a way interlocking concept only either x or y-axis, shorter in length, and low compressive strength value. However, the biaxial interlocking concrete block is a dry-stack concept being introduced in this research, offered the specialty compared to the normal interlocking concrete available in the market place due to its length and the geometry of the groove and tongue. This material can be used as a non-load bearing wall, or load-bearing wall depends on the application of the masonry. But, there is a lack of technical data that was produced before. This paper presents a finding on the compressive resistance of the biaxial interlocking concrete block masonry wall compared to the other traditional masonry walls. Two series of biaxial interlocking concrete block masonry walls, namely M1 and M2, a series of solid concrete block and cement sand brick walls M3, and M4 have tested the compressive resistance. M1 is the masonry wall of a hollow biaxial interlocking concrete block meanwhile; M2 is the grouted masonry wall, M3 is a solid concrete block masonry wall, and M4 is a cement sand brick masonry wall. All the samples were tested under static compressive load. The results examine that M2 is higher in compressive resistance compared to the M1, M3, and M4. It shows that the compressive strength of the concrete masonry units plays a significant role in the capacity of the masonry wall.Keywords: interlocking concrete block, compressive resistance, concrete masonry unit, masonry
Procedia PDF Downloads 1664049 Sustainable Manufacturing and Performance of Ceramic Membranes
Authors: Obsi Terfasa, Bhanupriya Das, Mithilish Passawan
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The large-scale application of microbial fuel cell (MFC) technology is significantly hindered by the high cost of the commonly used proton exchange membrane, Nafion. This has led to the recent development of ceramic membranes using various clay minerals. This study evaluates the characteristics and potential use of a new ceramic membrane made from potter’s clay © mixed with different proportions (0, 5, 10 wt%) of fly ash (FA), labeled as CFA0, CFA5, CFA10, for cost-effective and sustainable MFC use. Among these, the CFA10 membrane demonstrated superior quality with a fine pore size distribution (average 0.41 μm), which supports higher water uptake and reduced oxygen diffusion. Its oxygen mass transfer coefficient was 4.13 ± 0.13 × 10⁻⁴ cm/s, about 40% lower than the control. X-ray diffraction analysis revealed that the CFA membrane is rich in quartz, which enhances proton conductance and water retention. Electrochemical kinetics studies, including cyclic voltammetry and electrochemical impedance spectroscopy (EIS), also confirmed the effectiveness of the CFA10 membrane in MFC, showing a peak current output of 15.35 mA and low ohmic resistance (78.2 Ω). The novel CFA10 ceramic membrane, incorporating coal fly ash, a waste material, shows promise for high MFC performance at a significantly reduced cost (96%), making it suitable for sustainable scaling up of the technology.Keywords: ceramic membrane, Coulombic efficiency, electro-chemical kinetics, fly ash, proton conductivity, microbial fuel cell
Procedia PDF Downloads 364048 A Comparative Study of Single- and Multi-Walled Carbon Nanotube Incorporation to Indium Tin Oxide Electrodes for Solar Cells
Authors: G. Gokceli, O. Eksik, E. Ozkan Zayim, N. Karatepe
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Alternative electrode materials for optoelectronic devices have been widely investigated in recent years. Since indium tin oxide (ITO) is the most preferred transparent conductive electrode, producing ITO films by simple and cost-effective solution-based techniques with enhanced optical and electrical properties has great importance. In this study, single- and multi-walled carbon nanotubes (SWCNT and MWCNT) incorporated into the ITO structure to increase electrical conductivity, mechanical strength, and chemical stability. Carbon nanotubes (CNTs) were firstly functionalized by acid treatment (HNO3:H2SO4), and the thermal resistance of CNTs after functionalization was determined by thermogravimetric analysis (TGA). Thin films were then prepared by spin coating technique and characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), four-point probe measurement system and UV-Vis spectrophotometer. The effects of process parameters were compared for ITO, MWCNT-ITO, and SWCNT-ITO films. Two factors including CNT concentration and annealing temperature were considered. The UV-Vis measurements demonstrated that the transmittance of ITO films was 83.58% at 550 nm, which was decreased depending on the concentration of CNT dopant. On the other hand, both CNT dopants provided an enhancement in the crystalline structure and electrical conductivity. Due to compatible diameter and better dispersibility of SWCNTs in the ITO solution, the best result in terms of electrical conductivity was obtained by SWCNT-ITO films with the 0.1 g/L SWCNT dopant concentration and heat-treatment at 550 °C for 1 hour.Keywords: CNT incorporation, ITO electrode, spin coating, thin film
Procedia PDF Downloads 1154047 Variation of Warp and Binder Yarn Tension across the 3D Weaving Process and its Impact on Tow Tensile Strength
Authors: Reuben Newell, Edward Archer, Alistair McIlhagger, Calvin Ralph
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Modern industry has developed a need for innovative 3D composite materials due to their attractive material properties. Composite materials are composed of a fibre reinforcement encased in a polymer matrix. The fibre reinforcement consists of warp, weft and binder yarns or tows woven together into a preform. The mechanical performance of composite material is largely controlled by the properties of the preform. As a result, the bulk of recent textile research has been focused on the design of high-strength preform architectures. Studies looking at optimisation of the weaving process have largely been neglected. It has been reported that yarns experience varying levels of damage during weaving, resulting in filament breakage and ultimately compromised composite mechanical performance. The weaving parameters involved in causing this yarn damage are not fully understood. Recent studies indicate that poor yarn tension control may be an influencing factor. As tension is increased, the yarn-to-yarn and yarn-to-weaving-equipment interactions are heightened, maximising damage. The correlation between yarn tension variation and weaving damage severity has never been adequately researched or quantified. A novel study is needed which accesses the influence of tension variation on the mechanical properties of woven yarns. This study has looked to quantify the variation of yarn tension throughout weaving and sought to link the impact of tension to weaving damage. Multiple yarns were randomly selected, and their tension was measured across the creel and shedding stages of weaving, using a hand-held tension meter. Sections of the same yarn were subsequently cut from the loom machine and tensile tested. A comparison study was made between the tensile strength of pristine and tensioned yarns to determine the induced weaving damage. Yarns from bobbins at the rear of the creel were under the least amount of tension (0.5-2.0N) compared to yarns positioned at the front of the creel (1.5-3.5N). This increase in tension has been linked to the sharp turn in the yarn path between bobbins at the front of the creel and creel I-board. Creel yarns under the lower tension suffered a 3% loss of tensile strength, compared to 7% for the greater tensioned yarns. During shedding, the tension on the yarns was higher than in the creel. The upper shed yarns were exposed to a decreased tension (3.0-4.5N) compared to the lower shed yarns (4.0-5.5N). Shed yarns under the lower tension suffered a 10% loss of tensile strength, compared to 14% for the greater tensioned yarns. Interestingly, the most severely damaged yarn was exposed to both the largest creel and shedding tensions. This study confirms for the first time that yarns under a greater level of tension suffer an increased amount of weaving damage. Significant variation of yarn tension has been identified across the creel and shedding stages of weaving. This leads to a variance of mechanical properties across the woven preform and ultimately the final composite part. The outcome from this study highlights the need for optimised yarn tension control during preform manufacture to minimize yarn-induced weaving damage.Keywords: optimisation of preform manufacture, tensile testing of damaged tows, variation of yarn weaving tension, weaving damage
Procedia PDF Downloads 2364046 Chitosan Hydrogel Containing Nitric Oxide Donors with Potent Antibacterial Effect
Authors: Milena Trevisan Pelegrino, Bruna De Araujo Lima, Mônica H. M. Do Nascimento, Christiane B. Lombello, Marcelo Brocchi, Amedea B. Seabra
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Nitric oxide (NO) is a small molecule involved in a wide range of physiological and pathophysiological processes, including vasodilatation, control of inflammatory pain, wound healing, and antibacterial activities. As NO is a free radical, the design of drugs that generates therapeutic amounts of NO in controlled spatial and time manners is still a challenge. In this study, the NO donor S-nitrosoglutathione (GSNO) was incorporated into the thermoresponsive Pluronic F-127 (PL) - chitosan (CS) hydrogel, in an easy and economically feasible methodology. CS is a polysaccharide with known antimicrobial and biocompatibility properties. Scanning electron microscopy, rheology and differential scanning calorimetry techniques were used for hydrogel characterization. The results demonstrated that the hydrogel has a smooth surface, thermoresponsive behavior, and good mechanical stability. The kinetics of NO release and GSNO diffusion from GSNO-containing PL/CS hydrogel demonstrated a sustained NO/GSNO release, in concentrations suitable for biomedical applications, at physiological and skin temperatures. The GSNO-PL/CS hydrogel demonstrated a concentration-dependent toxicity to Vero cells, and antimicrobial activity to Pseudomonas aeruginosa (minimum inhibitory concentration and minimum bactericidal concentration values of 0.5 µg·mL-1 of hydrogel, which correspondents to 1 mmol·L-1 of GSNO). Interesting, the concentration range in which the NO-releasing hydrogel demonstrated antibacterial effect was not found toxic to Vero mammalian cell. Thus, GSNO-PL/CS hydrogel is suitable biomaterial for topical NO delivery applications.Keywords: antimicrobial, chitosan, biocompatibility, S-nitrosothiols
Procedia PDF Downloads 1854045 Structural Evidence of the Conversion of Nitric Oxide (NO) to Nitrite Ion (NO2‾) by Lactoperoxidase (LPO): Structure of the Complex of LPO with NO2‾ at 1.89å Resolution
Authors: V. Viswanathan, Md. Irshad Ahmad, Prashant K. Singh, Nayeem Ahmad, Pradeep Sharma, Sujata Sharma, Tej P Singh
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Lactoperoxidase (LPO) is a heme containing mammalian enzyme which uses hydrogen peroxide (H2O2) to catalyze the conversion of substrates into oxidized products. LPO is found in body fluids and tissues such as milk, saliva, tears, mucosa and other body secretions. The previous structural studies have shown that LPO converts substrates, thiocyanate (SCN‾) and iodide (I‾) ions into oxidized products, hypothiocyanite (OSCN‾) and hypoiodite (IO‾) ions, respectively. We report here a new structure of the complex of LPO with an oxidized product, nitrite (NO2‾). This product was generated from NO using the two step reaction of LPO by adding hydrogen peroxide (H2O2) in the solution of LPO in 0.1M phosphate buffer at pH 6.8 as the first step. In the second step, NO gas was added to the above mixture. This was crystallized using 20% (w/v) PEG-3350 and 0.2M ammonium iodide at pH 6.8. The structure determination showed the presence of NO2‾ ion in the distal heme cavity of the substrate binding site of LPO. The structure also showed that the propionate group, which is linked to pyrrole ring D of the heme moiety, was disordered. Similarly, the side chain of Asp108, which is covalently linked to heme moiety, was also split into two components. As a result of these changes, the conformation of the side chain of Arg255 was altered, allowing it to form new interactions with the disordered carboxylic group of propionate moiety. These structural changes are indicative of an intermediate state in the catalytic reaction pathway of LPO.Keywords: lactoperoxidase, structure, nitric oxide, nitrite ion, intermediate, complex
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