103 resultados para Hidróxido de cálcio
Resumo:
The objective of this research is the fabrication of a composite reinforced with dyed sisal fiber and polyester matrix for application in the fields such as, fashion, clothing, interior textiles; fashion accessories are some of the examples. For the fabrication of the composite, the sisal fibers were subjected to processes such as: chemical treatment with sodium hydroxide (NaOH) in the removal of impurities; bleaching for removing the yellowish color of the natural fiber and dyeing with direct dyes to confer the colors blue, green and orange. The search for new technologies ecologically correct has become a major concern in recent decades. Studies show that composite polymer reinforced by natural fibers is suitable for a large number of applications, and its use is advantageous in terms of economic and ecological. The dyed fibers were cut to a length of 30 mm, is used in the confection of webs. For this purpose, a web preparer by immersion, developed in the Laboratory of Chemical Textile of UFRN. The composite sheets measuring 300 x 300 x3 mm were molded by compression, with unsaturated orthophthalic polyester as matrix, and the samples in sizes 150 x 25 x 3 mm were cut with the aid of a laser machine, to be subjected to traction and flexion. The mechanical properties of traction and flexion in three points were performed in the Laboratory of metal and mechanical tests of Materials Engineering of UFRN. The resulting samples from the tests were evaluated in scanning electron microscope (SEM) at CTGas RN. On the basis of the analysis of the results from the mechanical tests, it was observed that the composite had good mechanical behavior, both in traction as in flexion. Furthermore, it was observed that in the water absorption test, the samples had a different percentage among themselves, this occurred due to the variation of density found in the fibre webs. The images of the SEM showed the failures from the manufacturing process and the adhesion of fibre/matrix. When the samples were prepared with the dyed fibers to be applied in fashion, the results were positive, and it can be concluded that the main objective of this work was achieved
Resumo:
The Sustainability has been evidence in the world today; organizations have sought to be more and more into this philosophy in their processes, whether products or attendance. In the present work were manufactured eco-composites with animal fiber (dog wool) that is currently discarded into the environment without any use. The fibers were characterized and made matting (non-woven). The phases of the project were consisted to develop methods and to convert these fibers (booster) blended with polyester resin (matrix) in different proportions (10%, 20% and 30%) at the composite. Were studied fiber characteristics, mechanical properties of the composites, water absorption and scanning electron microscopy. Initially, the fibers were treated with solution of sodium hydroxide of 0.05 mols, and then taken to matting preparing at the textile engineering laboratory - UFRN. The composites were made by compression molding, using an orthophthalic polyester resin as matrix and 1% MEK (methyl ethyl ketone peroxide) as initiator (catalyst). To evaluate the mechanical tests (tensile and flexural) and water absorption were made twelve specimens with dimensions 150x25x3 mm were cut randomly. According to the standard method, tensile tests (ASTM 3039) bending tests (ASTM D790) were performed at the mechanical testing of metals at laboratory UFRN. The results of these tests showed that the composite reinforced with 30% had a better behavior when exposed to tension charge; while on the three points bending test showed that the composite reinforced with 10% had a better behavior. In the water absorption test it was possible to see that the highest absorption happened on the composite reinforced with 30%. In the micrographs, it was possible to see the regions of rupture and behavior of the composite (booster / matrix)
Resumo:
Petroleum can be associated or not with natural gas, but in both cases water is always present in its formation. The presence of water causes several problems, such as the difficulty of removing the petroleum from the reservoir rock and the formation of waterin-oil and oil-in-water emulsions. The produced water causes environmental problems, which should be solved to reduce the effect of petroleum industry in the environment. The main objective of this work is to remove simultaneously from the produced water the dispersed petroleum and dissolved metals. The process is made possible through the use of anionic surfactants that with its hydrophilic heads interacts with ionized metals and with its lipophilic tails interacts with the oil. The studied metals were: calcium, magnesium, barium, and cadmium. The surfactants used in this research were derived from: soy oil, sunflower oil, coconut oil, and a soap obtained from a mixture of 5wt.% coconut oil and 95wt.% animal fat. It was used a sample of produced water from Terminal de São Sebastião, São Paulo. As the concentration of the studied metals in produced water presented values close to 300 mg/L, it was decided to use this concentration as reference for the development of this research. Molecular absorption and atomic absorption spectroscopy were used to determine petroleum and metals concentrations in the water sample, respectively. A constant pressure filtration system was used to promote the separation of solid and liquid phases. To represent the behavior of the studied systems it was developed an equilibrium model and a mathematical one. The obtained results showed that all used surfactants presented similar behavior with relation to metals extraction, being selected the surfactant derived from soy oil for this purpose. The values of the partition coefficients between the solid and liquid phases " D " for the studied metals varied from 0.2 to 1.1, while the coefficients for equilibrium model " K " varied from 0.0002 and 0.0009. The removal percentile for oil with all metals associated was near 100%, showing the efficiency of the process
Resumo:
All around the world, naturally occurring hydrocarbon deposits, consisting of oil and gas contained within rocks called reservoir rocks , generally sandstone or carbonate exists. These deposits are in varying conditions of pressure and depth from a few hundred to several thousand meters. In general, shallow reservoirs have greater tendency to fracture, since they have low fracture gradient, ie fractures are formed even with relatively low hydrostatic columns of fluid. These low fracture gradient areas are particularly common in onshore areas, like the Rio Grande do Norte basin. During a well drilling, one of the most favorable phases for the occurrence of fractures is during cementing, since the cement slurry used can have greater densities than the maximum allowed by the rock structure. Furthermore, in areas which are already naturally fractured, the use of regular cement slurries causes fluid loss into the formation, which may give rise to failures cementations and formation damages. Commercially, there are alternatives to the development of lightweight cement slurries, but these fail either because of their enormous cost, or because the cement properties were not good enough for most general applications, being restricted to each transaction for which the cement paste was made, or both reasons. In this work a statistical design was made to determine the influence of three variables, defined as the calcium chloride concentration, vermiculite concentration and nanosilica concentration in the various properties of the cement. The use of vermiculite, a low density ore present in large amounts in northeastern Brazil, as extensor for cementing slurries, enabled the production of stable cements, with high water/cement ratio, excellent rheological properties and low densities, which were set at 12.5 lb / gal, despite the fact that lower densities could be achieved. It is also seen that the calcium chloride is very useful as gelling and thickening agent, and their use in combination with nanosilica has a great effect on gel strength of the cement. Hydrothermal Stability studies showed that the pastes were stable in these conditions, and mechanical resistance tests showed values of the order of up to 10 MPa
Resumo:
During the process of the salt production, the first the salt crystals formed are disposed of as industrial waste. This waste is formed basically by gypsum, composed of calcium sulfate dihydrate (CaSO4.2H2O), known as carago cru or malacacheta . After be submitted the process of calcination to produce gypsum (CaSO4.0,5H2O), can be made possible its application in cement industry. This work aims to optimize the time and temperature for the process of calcination of the gypsum (carago) for get beta plaster according to the specifications of the norms of civil construction. The experiments involved the chemical and mineralogical characterization of the gypsum (carago) from the crystallizers, and of the plaster that is produced in the salt industry located in Mossoró, through the following techniques: x-ray diffraction (XRD), x-ray fluorescence (FRX), thermogravimetric analysis (TG/DTG) and scanning electron microscopy (SEM) with EDS. For optimization of time and temperature of the process of calcination was used the planning three factorial with levels with response surfaces of compressive mechanical tests and setting time, according norms NBR-13207: Plasters for civil construction and x-ray diffraction of plasters (carago) beta obtained in calcination. The STATISTICA software 7.0 was used for the calculations to relate the experimental data for a statistical model. The process for optimization of calcination of gypsum (carago) occurred in the temperature range from 120° C to 160° C and the time in the range of 90 to 210 minutes in the oven at atmospheric pressure, it was found that with the increase of values of temperature of 160° C and time calcination of 210 minutes to get the results of tests of resistance to compression with values above 10 MPa which conform to the standard required (> 8.40) and that the X-ray diffractograms the predominance of the phase of hemidrato beta, getting a beta plaster of good quality and which is in accordance with the norms in force, giving a by-product of the salt industry employability in civil construction
Resumo:
The need for new sources of energy and the concern about the environment have pushed the search for renewable energy sources such as ethanol. The use of lignocellulosic biomass as substrate appears as an important alternative because of the abundance of this raw material and for it does not compete with food production. However, the process still meets difficulties of implementation, including the cost for production of enzymes that degrade cellulose to fermentable sugars. The aim of this study was to evaluate the behavior of the species of cactus pear Opuntia ficus indica and Nopalea cochenillifera, commonly found in northeastern Brazil, as raw materials for the production of: 1) cellulosic ethanol by simultaneous saccharification and fermentation (SSF) process, using two different strains of Saccharomyces cerevisiae (PE-2 and LNF CA-11), and 2) cellulolytic enzymes by semi-solid state fermentation (SSSF) using the filamentous fungus Penicillium chrysogenum. Before alcoholic fermentation process, the material was conditioned and pretreated by three different strategies: alkaline hydrogen peroxide, alkaline using NaOH and acid using H2SO4 followed by alkaline delignification with NaOH. Analysis of composition, crystallinity and enzymatic digestibility were carried out with the material before and after pretreatment. In addition, scanning electron microscopy images were used to compare qualitatively the material and observe the effects of pretreatments. An experimental design 2² with triplicate at the central point was used to evaluate the influence of temperature (30, 40 and 45 °C) and the initial charge of substrate (3, 4 and 5% cellulose) in the SSF process using the material obtained through the best condition and testing both strains of S. cerevisiae, one of them flocculent (LNF CA-11). For cellulase production, the filamentous fungus P. chrysogenum was tested with N. cochenillifera in the raw condition (without pretreatment) and pretrated hydrothermically, varying the pH of the fermentative medium (3, 5 and 7). The characterization of cactus pear resulted in 31.55% cellulose, 17.12% hemicellulose and 10.25% lignin for N. cochenillifera and 34.86% cellulose, 19.97% hemicellulose and 15.72% lignin for O. ficus indica. It has also been determined, to N. cochenillifera and O. ficus indica, the content of pectin (5.44% and 5.55% of calcium pectate, respectively), extractives (26.90% and 9.69%, respectively) and ashes (5.40% and 5.95%). Pretreatment using alkaline hydrogen peroxide resulted in the best cellulose recovery results (86.16% for N. cochenillifera and 93.59% for O. ficus indica) and delignification (48.79% and 23.84% for N. cochenillifera and O. ficus indica, respectively). This pretreatment was also the only one which did not increase the crystallinity index of the samples, in the case of O. ficus indica. However, when analyzing the enzymatic digestibility of cellulose, alkali pretreatment was the one which showed the best yields and therefore it was chosen for the tests in SSF. The experiments showed higher yield of conversion of cellulose to ethanol by PE-2 strain using the pretreated N. cochenillifera (93.81%) at 40 °C using 4% initial charge of cellulose. N. cochenillifera gave better yields than O. ficus indica and PE-2 strain showed better performance than CA-11. N. cochenillifera proved to be a substrate that can be used in the SSSF for enzymes production, reaching values of 1.00 U/g of CMCase and 0.85 FPU/g. The pretreatment was not effective to increase the enzymatic activity values
Resumo:
The treatment of colored and alkaline effluent has been a challenge to the textile industry. An alternative to remove the colors of those effluents is applying magnesium chloride as a coagulant agent. The magnesium ion, in high pH, hydrolyzes itself, forming the magnesium hydroxide which has a large adsorptive area and positive electrostatic charges able to act as an efficient coagulant. The bittern wastewater from the salt industries has been studied as a potential font of this magnesium ion. Nowadays, this bittern wastewater is evicted into the sea, without any treatment or other use. This thesis has evaluated the potential of applying the wastewater from the salt industries in the treatment of dyeing effluent containing indigo dye and alkaline pH. All the experiments were made in jar tests simulating the chemical coagulation, flocculation and decantation steps ranging the pH and the concentration of magnesium ion. Were obtained removals between 96% and 76% for turbidity, apparent color, and true color, respectively, using 200mg/L Mg2+. The reduction of costs with acid, when were used the salt industries wastewater, comparing with Al2(SO4)3, was 62%. For the degradation of organic matter remaining in the clarified, around 900 mg/L, was applyed the advanced process of oxidation: photo-Fenton. The preliminary results showed 57% reduction in DOC. According to the results obtained, the salt industries wastewater can be applied, as coagulant, in the physical-chemical treatment of the denim dyeing wastewater, so it is not necessary a previous adjust of pH, efficiently and economically
Resumo:
Natural gas, although basically composed by light hydrocarbons, also presents contaminant gases in its composition, such as CO2 (carbon dioxide) and H2S (hydrogen sulfide). The H2S, which commonly occurs in oil and gas exploration and production activities, causes damages in oil and natural gas pipelines. Consequently, the removal of hydrogen sulfide gas will result in an important reduction in operating costs. Also, it is essential to consider the better quality of the oil to be processed in the refinery, thus resulting in benefits in economic, environmental and social areas. All this facts demonstrate the need for the development and improvement in hydrogen sulfide scavengers. Currently, the oil industry uses several processes for hydrogen sulfide removal from natural gas. However, these processes produce amine derivatives which can cause damage in distillation towers, can cause clogging of pipelines by formation of insoluble precipitates, and also produce residues with great environmental impact. Therefore, it is of great importance the obtaining of a stable system, in inorganic or organic reaction media, able to remove hydrogen sulfide without formation of by-products that can affect the quality and cost of natural gas processing, transport, and distribution steps. Seeking the study, evaluation and modeling of mass transfer and kinetics of hydrogen removal, in this study it was used an absorption column packed with Raschig rings, where the natural gas, with H2S as contaminant, passed through an aqueous solution of inorganic compounds as stagnant liquid, being this contaminant gas absorbed by the liquid phase. This absorption column was coupled with a H2S detection system, with interface with a computer. The data and the model equations were solved by the least squares method, modified by Levemberg-Marquardt. In this study, in addition to the water, it were used the following solutions: sodium hydroxide, potassium permanganate, ferric chloride, copper sulfate, zinc chloride, potassium chromate, and manganese sulfate, all at low concentrations (»10 ppm). These solutions were used looking for the evaluation of the interference between absorption physical and chemical parameters, or even to get a better mass transfer coefficient, as in mixing reactors and absorption columns operating in counterflow. In this context, the evaluation of H2S removal arises as a valuable procedure for the treatment of natural gas and destination of process by-products. The study of the obtained absorption curves makes possible to determine the mass transfer predominant stage in the involved processes, the mass transfer volumetric coefficients, and the equilibrium concentrations. It was also performed a kinetic study. The obtained results showed that the H2S removal kinetics is greater for NaOH. Considering that the study was performed at low concentrations of chemical reagents, it was possible to check the effect of secondary reactions in the other chemicals, especially in the case of KMnO4, which shows that your by-product, MnO2, acts in H2S absorption process. In addition, CuSO4 and FeCl3 also demonstrated to have good efficiency in H2S removal
Resumo:
The petroleum production is associated to the produced water, which has dispersed and dissolved materials that damage not only the environment, but also the petroleum processing units. This study aims at the treatment of produced water focusing mainly on the removal of metals and oil and using this treated water as raw material for the production of sodium carbonate. Initially, it was addressed the removal of the following divalent metals: calcium, magnesium, barium, zinc, copper, iron, and cadmium. For this purpose, surfactants derived from vegetable oils, such as coconut oil, soybean oil, and sunflower oil, were used. The investigation showed that there is a stoichiometric relationship between the metals removed from the produced water and the surfactants used in the process of metals removal. It was also developed a model that correlates the hydrolysis constant of saponified coconut oil with the metal distribution between the resulting stages of the proposed process, flocs and aqueous phases, and relating the results with the pH of the medium. The correlation coefficient obtained was 0.963. Next, the process of producing washing soda (prefiro soda ahs ou sodium carbonate) started. The resulting water from the various treatment approaches from petroleum production water was used. During this stage of the research, it was observed that the surfactant assisted in the produced water treatment, by removing some metals and the dispersed oil entirety. The yield of sodium carbonate production was approximately 80%, and its purity was around 95%. It was also assessed, in the production of sodium carbonate, the influence of the type of reactor, using a continuous reactor and a batch reactor. These tests showed that the process with continuous reactor was not as efficient as the batch process. In general, it can be concluded that the production of sodium carbonate from water of oil production is a feasible process, rendering an effluent that causes a great environmental impact a raw material with large scale industrial use
Resumo:
The growing utilization of surfactants in several different areas of industry has led to an increase on the studies involving solutions containing this type of molecules. Due to its amphiphilic nature, its molecule presents one polar part and one nonpolar end, which easily interacts with other molecules, being able to modify the media properties. When the concentration in which its monomers are saturated, the airliquid system interface is reached, causing a decrease in interfacial tension. The surfactants from pure fatty acids containing C8, C12 and C16 carbonic chains were synthesized in an alcoholic media using sodium hydroxide. They were characterized via thermal analysis (DTA and DTG) and via infrared spectroscopy, with the intention of observing their purity. Physical and chemical properties such as superficial tension, critical micelle concentration (c.m.c), surfactant excess on surface and Gibbs free energy of micellization were determined in order to understand the behaviour of these molecules with an aqueous media. Pseudo-ternary phase diagrams were obtained aiming to limit the Windsor equilibria conditions so it could be possible to understand how the surfactants carbonic chain size contributes to the microemulsion region. Solutions with known concentrations were prepared to study how the surfactants can influence the dynamic light scattering spectroscopy (DLS) and how the diffusion coefficient is influenced when the media concentration is altered. The results showed the variation on the chain size of the studied surfactant lipophilic part allows the conception of surfactants with similar interfacial properties, but dependent on the size of the lipophilic part of the surfactant. This variation causes the surfactant to have less tendency of microemulsionate oil in water. Another observed result is that the n-alcanes molecule size promoted a decrease on the microemulsion region on the obtained phase diagrams
Resumo:
The urban drainage is one of the powers of environmental sanitation and its scope is the quantitative and qualitative aspects. In decision making of managers and the engineering aspects of design are almost always taken into account only the quantitative aspects. However, the waters of the runoff have the highest concentrations of pollutants at the beginning of precipitation. Thus, if the plot pollution removed, the remaining portion can be used for other purposes. This work has aimed to present the variation of water quality of two drainage basins in the city of Natal / RN-Brazil to support the implementation of drainage to consider the qualitative aspect, and identify potential for the use of water. The basins (M and C) are analyzed closed-type, are in the urban area, are predominantly residential occupation and its waters are used for detention ponds and infiltration. The samples were divided into three phases, the first two direct to final points in a basin and the third in traps distributed over the surface drainage. The parameters had been analyzed were pH, conductivity, dissolved oxygen, Color, Turbidity, COD, Ammonia, nitrite, nitrate, total phosphorus, orthophosphate, Sediments solids, total solids, chloride, sulfate, alkalinity, calcium, magnesium, sodium, potassium, Heavy Metals (Chromium, Cadmium, Lead, Zinc and Copper), Eschichia coli and total coliforms. The parameters studied showed high initial pollution load, events and located in different proportions, except nitrite, heavy metals and biological indicators. The size of the surface drainage and topographic its features influence the quality of water. However, the form of sampling is crucial in the qualitative study in the basin. The samplers developed at work, were generated economic and representative results. The urban rainwater presents organic faecal indicators. The runoff of water from both basins shows no risk of salinity and sodicity for use in irrigation, should be noted the content of chloride in the choice of method of irrigation
Resumo:
The Serido is a region of northeastern Brazil highlighted by its problems related to water scarcity because of its semi-arid region, large rates of evaporation and rainfall irregular and scarce. Thus, the underground dams, become a strategically important resource with a simple and inexpensive technique for storage of water. They act in a positive way in the development of inland cities that suffer from drought, because in addition to exercise a great improvement in the social role of these families, can enjoy the type of soil (silt) and provides water for both irrigation and for human consumption throughout the year. Is therefore essential to its monitoring and studies to assess its effectiveness in accordance with its purposes, along with their wells Amazons, as can occur in conditions of physical degradation, chemical and microbiological appropriate, according to the Ordinance No 518/04 Ministry of Health, however, the proposed work aims to analyze the underground dams in the municipality of Sierra Negra North-RN (semi-arid region) as to their uses and their influences on the quality and quantity of water in periods of drought and rain. Analyzing monthly these parameters: determination of pH, conductivity, calcium, magnesium, sodium, potassium, chloride, sulfate, RAS (sodium adsorption ratio), turbidity, total iron, nitrite, nitrate, total dissolved solids (STD), bicarbonate (HCO3), fecal coliform and pesticides compared to the standards allowed by the Ordinance in force for quality for human consumption. While at the risk of salinity and sodicity on the model proposed by the United Salinity Laboratory (USSL). Although efficient, it was found that results varied annually on water quality which may influence their specific uses, whether or irrigation water supply in the city
Resumo:
The detention and infiltration ponds of urban drainage system has function to protect the population from undesirable effects of floods. In general these ponds are not completly used and it potential is wasted. As it are disseminated at different places at cities it can reduce costs with water transport and permit water preservation of best quality. Some it utilities includes use in green areas irrigation, industrial among than cooling towers and boiler, soil compaction, cleaning urban road, pisciculture and fire fighting system. The quality these water is influenced by anauthorized sewage in the drainage system. This study was performed in six detention and infiltration ponds at drainage system of Natal, which aim was to verify the non-portable use these ponds on urban environment. As indirect aim would to incentive the water utilization these ponds as a water source to another uses in urban environment. These ponds represents the characteristics of detention and infiltration of Natal city and consequently of Brazil. As the water quality, the ponds presents following characteristics: three has apparently good quality, other showed intermediate condition and two had water polluted. Were performed twenty sample in each ponds and the following parameters assessed: pH, temperature, dissolved oxygen, turbidity, electrical conductivity, coliform thermotolerant, ammonia, organic nitrogen, TKN, nitrate, total phosphorus and alkalinity, bicarbonate, chloride, total hardness, calcium and magnesium hardness, total solids, TSS, TDS, COD and SAR°. To utilization on pisciculture we recommend use in ponds which presents the best quality. Only one pond presented higher pollutants and it not being appropriated for use in cooling tower. The content of solids suspension restricted the water use in all ponds in boilers. As water use in soil compaction, cleaning urban road and fire fighting system the water from these ponds are not appropriated. However, the recommended limits from literature are to domestic sewage, due to this, the parameters are restrictive to diminish the sanitary risk that could be offered with it utilization. The infiltration velocity of water these assessed ponds restrict a moderato use, however the effects are potentiated only in soil less sandy, which not occur in Natal. It is recommend the unrestricted irrigation utilization in ponds with best quality of water, and a restricted irrigation to ponds with worst quality of water. As load of pollutants, it is recommended a complementary treatment in those ponds whit higher load to diminish sanitary risks. In only one pond was found one helminth eggs and due to the convention formula of results, it was found for all ponds less than 1 helminth/liter eggs.
Resumo:
This work intends to develop an approach based through scientific criteria in the operational diagnosis of ponds of stabilization, starting from analyses accomplished in loco and in laboratory of 78 systems of sewer treatment through ponds of stabilization in the State of Rio Grande do Norte. The objectives of the research are: to map, to evaluate and to diagnose the operational acting of the ponds of stabilization of the state of Rio Grande do Norte, through visits in loco and analyses laboratory; to build a SIG, through the map rain, locate the points of releases of sewages of the systems of existent ponds in Rio Grande do Norte, as well as operational data and his/her respective efficiency diagnosis in the removal of BOD and Coliforms Termotolerantes; to evaluate, in real scale, three systems of ponds of stabilization of RN in the operational efficiency for the parameters BOD5, COD, pH, Temperature, OD and Coliforms Termotolerantes. Of 78 ETEs of appraised RN just, 9% or 7 had maximum concepts in what concerns the removal of BOD and Coliforms Termotolerantes and 41% or 32, they had the worst concepts in term of operational efficiency. The flowing concentrations ETEs of RN of BOD and Coliforms were of 410mg/L and 2,50x107UFC/100ml, the predominant configuration is of the type F1+M1+M2, the relationship BOD/COD revealed for the sewer tributary characteristic biodegradable high. For the study of case of 3 ETEs, the best operational efficiencies in decreasing order were: Cidade (Municipal district), it Roça (State) and São Miguel (SAAE). The removals of final BOD were 51,6mg/L; 108,27mg/L and 62,6mg/L, tends efficiency of 82%; 74% and 81%. In term of coliforms removal in the final effluentes were 1,90x103UFC/100ml; 1,50x104UFC/100ml and 3,10x104UFC/100ml, tends efficiencies of 99,99%; 99,95% and 99,90%. In what it concerns the practice of agricultural reúso of cultures consumed raw, none of 3 ETEs assisted the parameters of the Resolution CONAMA 357/05, for other reúso practices, all assisted the categories B and C of OMS. For release in body receiving ETE Cidade just, they assist the demands of the resolution of CONAMA 357/05, by study of purification solemnity of the receiving body. The maintenance lack and operation; exclusive operator in ETEs and operation knowledge was the contributory factors for the operational fall in appraised ETEs of RN
Resumo:
The physical properties and the excitations spectrum in oxides and semiconductors materials are presented in this work, whose the first part presents a study on the confinement of optical phonons in artificial systems based on III-V nitrides, grown in periodic and quasiperiodic forms. The second part of this work describes the Ab initio calculations which were carried out to obtain the optoeletronic properties of Calcium Oxide (CaO) and Calcium Carbonate (CaCO3) crystals. For periodic and quasi-periodic superlattices, we present some dynamical properties related to confined optical phonons (bulk and surface), obtained through simple theories, such as the dielectric continuous model, and using techniques such as the transfer-matrix method. The localization character of confined optical phonon modes, the magnitude of the bands in the spectrum and the power laws of these structures are presented as functions of the generation number of sequence. The ab initio calculations have been carried out using the CASTEP software (Cambridge Total Sequential Energy Package), and they were based on ultrasoft-like pseudopotentials and Density Functional Theory (DFT). Two di®erent geometry optimizations have been e®ectuated for CaO crystals and CaCO3 polymorphs, according to LDA (local density approximation) and GGA (generalized gradient approximation) approaches, determining several properties, e. g. lattice parameters, bond length, electrons density, energy band structures, electrons density of states, e®ective masses and optical properties, such as dielectric constant, absorption, re°ectivity, conductivity and refractive index. Those results were employed to investigate the confinement of excitons in spherical Si@CaCO3 and CaCO3@SiO2 quantum dots and in calcium carbonate nanoparticles, and were also employed in investigations of the photoluminescence spectra of CaCO3 crystal