9 resultados para Organic physical chemistry

em Universidade Federal do Rio Grande do Norte(UFRN)


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Educational games can work as a complementary tool in teaching and learning chemistry, playing an important role in the development of the students cognitive structures, familiarizing them with certain conceptual content, which may arouse interest in the study of such content. In this work, we made an analysis of organic chemistry textbooks recommended by Programa Nacional do Livro Didático 2012, for high school students in order to verify the existence of methodological proposals using educational games. From this analysis, we proposed an educational game to be developed for students on 3º year of high medium and undergraduate chemistry, that are in 1º semester of the course, which is constituted of a tray and 48 letters, which work various concepts concerning organic functions, such as: structural characteristics, physical properties, chemical and properties diverse of the compounds used for the confection of the letters. The game was applied to a class degree in chemistry, period 2012.1 to a Federal Education of Rio Grande do Norte and a group of students of the 3rd year of the state schools of Rio Grande do Norte, in the period the months of April and May 2012. The analysis of the performance of the game proposed was made using visual observations, photographic records and testimonials of students who participated in the games. The instrument used for the data collection was the student questionnaire, which was similar for both groups, differing only in the amount of questions, because one of them had one more question. During application of the game it was observed that it constitutes a dynamic strategy in the teaching and learning of chemistry concepts, given that students actively participated in the classes as well, demonstrated more motivation in the construction of concepts, furthermore, it was possible to observe evidence of other possibilities of the game. This could be verified through visual observations and testimonials at the end of each game, by reading the answers to the questionnaires

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This thesis was performed in four chapters, at the theoretical level, focused mainly on electronic density. In the first chapter, we have applied an undergraduate minicourse of Diels-Alder reaction in Federal University of Rio Grande do Norte. By using computational chemistry tools students could build the knowledge by themselves and they could associate important aspects of physical-chemistry with Organic Chemistry. In the second chapter, we studied a new type of chemical bond between a pair of identical or similar hydrogen atoms that are close to electrical neutrality, known as hydrogen-hydrogen (H-H) bond. In this study performed with complexed alkanes, provides new and important information about their stability involving this type of interaction. We show that the H-H bond playing a secondary role in the stability of branched alkanes in comparison with linear or less branched isomers. In the third chapter, we study the electronic structure and the stability of tetrahedrane, substituted tetrahedranes and silicon and germanium parents, it was evaluated the substituent effect on the carbon cage in the tetrahedrane derivatives and the results indicate that stronger electron withdrawing groups (EWG) makes the tetrahedrane cage slightly unstable while slight EWG causes a greater instability in the tetrahedrane cage. We showed that the sigma aromaticity EWG and electron donating groups (EDG) results in decrease and increase, respectively, of NICS and D3BIA aromaticity indices. In addition, another factor can be utilized to explain the stability of tetra-tert-butyltetrahedrane as well as HH bond. GVB and ADMP were also used to explain the stability effect of the substituents bonded to the carbon of the tetrahedrane cage. In the fourth chapter, we performed a theoretical investigation of the inhibitory effect of the drug abiraterone (ABE), used in the prostate cancer treatment as CYP17 inhibitor, comparing the interaction energies and electron density of the ABE with the natural substrate, pregnenolone (PREG). Molecular dynamics and docking were used to obtain the CYP1ABE and CYP17-PREG complexes. From molecular dynamics was obtained that the ABE has higher diffusion trend water CYP17 binding site compared to the PREG. With the ONIOM (B3LYP:AMBER) method, we find that the interaction electronic energy of ABE is 21.38 kcal mol-1 more stable than PREG. The results obtained by QTAIM indicate that such stability is due a higher electronic density of interactions between ABE and CYP17

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Bioidentical hormones are defined as compounds that have exactly the same chemical and molecular structure as hormones that are produced in the human body. It is believed that the use of hormones may be safer and more effective than the non-bioidentical hormones, because binding to receptors in the organism would be similar to the endogenous hormone. Bioidentical estrogens have been used in menopausal women, as an alternative to traditional hormone replacement therapy. Thermal data of these hormones are scarce in literature. Thermal analysis comprises a group of techniques that allows evaluating the physical-chemistry properties of a drug, while the drug is subjected to a controlled temperature programming. The thermal techniques are used in pharmaceutical studies for characterization of drugs, purity determination, polymorphism identification, compatibility and evaluation of stability. This study aims to characterize the bioidentical hormones estradiol and estriol through thermal techniques TG/DTG, DTA, DSC, DSC-photovisual. By the TG curves analysis was possible to calculated kinetic parameters for the samples. The kinetic data showed that there is good correlation in the different models used. For both estradiol and estriol, was found zero order reaction, which enabled the construction of the vapor pressure curves. Data from DTA and DSC curves of melting point and purity are the same of literature, showed relation with DSC-photovisual results. The analysis DTA curves showed the fusion event had the best linearity for both hormones. In the evaluation of possible degradation products, the analysis of the infrared shows no degradation products in the solid state

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This research is based, at first, on the seeking of alternatives naturals reinforced in place of polymeric composites, also named reinforced plastics. Therein, this work starts with a whole licuri fiber micro structural characterization, as alternative proposal to polymeric composites. Licuri fiber is abundant on the Bahia state flora, native from a palm tree called Syagrus Coronata (Martius) Beccari. After, it was done only licuri fiber laminar composite developing studies, in order to know its behavior when impregnated with thermofix resin. The composite was developed in laminar structure shape (plate with a single layer of reinforcement) and produced industrially. The layer of reinforcement is a fabric-fiber unidirectional of licuri up in a manual loom. Their structure was made of polyester resin ortofitálica (unsaturated) only reinforced with licuri fibers. Fiber characterization studies were based on physical chemistry properties and their constitution. It was made by tension, scanning electron microscopy (SEM), x-ray diffraction (RDX) and thermal analyses (TG and DTA) tests, besides fiber chemistry analyses. Relating their mechanical properties of strength and hardness testing, they were determined through unit axial tension test and flexion in three points. A study in order to know fiber/matrix interface effects, in the final composites results, was required. To better understand the mechanical behavior of the composite, macroscopic and microscopic optical analysis of the fracture was performed

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The biodiesel use has become important due to its renewable character and to reduce environmental impacts during the fuel burning. Theses benefit will be valid if the fuel shows good performance, chemistry stability and compatibility with engines. Biodiesel is a good fuel to diesel engines due to its lubricity. Then, the aimed of this study was to verify the physicalchemistry properties of biodiesel and their correlations with possible elastomers damage after biodiesel be used as fuel in an injection system. The methodology was divided in three steps: biodiesels synthesis by transesterification of three vegetable oil (soybean, palm and sunflower) and their physical-chemistry characterization (viscosity, oxidative stability, flash point, acidity, humidity and density); pressurized test of compatibility between elastomers (NBR and VITON) and biodiesel, and the last one, analyze of biodiesels lubricity by tribological test ball-plan( HFRR). Also, the effect of mixture of biodiesel and diesel in different concentrations was evaluated. The results showed that VITON showed better compatibility with all biodiesel blends in relation to NBR, however when VITON had contact with sunflower biodiesel and its blends the swelling degree suffer higher influences due to biodiesel humidity. For others biodiesels and theirs blends, this elastomer kept its mechanical properties constant. The better tribological performance was observed for blends with high biodiesel concentration, lower friction coefficient was obtained when palm biodiesel was used. The main mechanisms observed during the HFRR tests were abrasive and oxidative wear

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The oil industry has several segments that can impact the environment. Among these, produced water which has been highlight in the environmental problem because of the great volume generated and its toxic composition. Those waters are the major source of waste in the oil industry. The composition of the produced water is strongly dependent on the production field. A good example is the wastewater produced on a Petrobras operating unit of Rio Grande do Norte and Ceará (UO-RNCE). A single effluent treatment station (ETS) of this unit receives effluent from 48 wells (onshore and offshore), which leads a large fluctuations in the water quality that can become a complicating factor for future treatment processes. The present work aims to realize a diagnosis of a sample of produced water from the OU - RNCE in compliance to certain physical and physico-chemical parameters (chloride concentration, conductivity, dissolved oxygen, pH, TOG (oil & grease), nitrate concentration, turbidity, salinity and temperature). The analysis of the effluent is accomplished by means of a MP TROLL 9500 Multiparameter probe, a TOG/TPH Infracal from Wilks Enterprise Corp. - Model HATR - T (TOG) and a MD-31 condutivimeter of Digimed. Results were analyzed by univariated and multivariated analysis (principal component analysis) associated statistical control charts. The multivariate analysis showed a negative correlation between dissolved oxygen and turbidity (-0.55) and positive correlations between salinity and chloride (1), conductivity, chloride and salinity (0.70). Multivariated analysis showed there are seven principal components which can explain the variability of the parameters. The variables, salinity, conductivity and chloride were the most important variables, with, higher sampling variance. Statistical control charts have helped to establish a general trend between the physical and chemical evaluated parameters

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In this work, biosorption process was used to remove heavy metals from used automotive lubricating oils by a bus fleet from Natal-RN-Brazil. This oil was characterized to determine the physical-chemistry properties. It was also characterized the used oil with the aim of determining and quantifying the heavy metal concentration. Fe and Cu were the metals existent in large concentration and these metals were choused to be studied in solubilization process. For the biosorption process was used the seaweed Sargassum sp for the study of influencing of the metals presents separately and with other metals. It was also studied the effect of the protonation treatment of alga with the objective to know the best efficiency of heavy metals removal. The study of the solubilization showed that the presence of more than a metal favors the solubilization of the metals presents in the oil and consequently, it favors the biosorption process, what becomes interesting the perspective application in the heavy metals removal in lubricating oils used, because the presence of more than a heavy metal favors the solubility of all metals present. It was observed that the iron and copper metals, which are present in large concentration, the protonated biosorbtent was more effective. In this study we used as biomass the marine alga Sargassum sp to study the influence of agitation velocity, temperature and initial biomass concentration on the removal of iron and copper from used lubricant oils. We performed an experimental design and a kinetic study. The experiments were carried out with samples of used lubricant oil and predetermined amounts of algae, allowing sufficient time for the mixture to obtain equilibrium under controlled conditions. The results showed that, under the conditions studied, the larger the amount of biomass present, the lower the adsorption capacity of the iron and of the copper, likely due to a decrease in interface contact area. The experimental design led us to conclude that a function can be obtained that shows the degree of influence of each one of the system variables

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The objective of this scientific article is to introduce the opportunities of implementation of cleaner production (CP) in a shrimp culture farm. The methodology used for this was exploratory research implemented in a production unit located in the Northeast Brazil. The scientific article approaches since generic aspects of the technique about the management to use water, energy and the effluent characterization of this productive activity. It discusses quantitative aspects, environmental questions and chances of P+L during the productive process phases. The results points to input economy in the form of feed, soil correctives, medicines, and energy applied to the process, which range from 4% to 27%, emphasizing the small profit should be viewed as a source of considerable environment return. The authors conclude for the adoption property of this technique in this agribusiness segment, point out to the management importance of the input dosage in the quality of the final effluent, besides the adoption of a physical-chemistry remediation mechanism to the residual of Sodium metabissulphite used in the process of shrimp caught

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In Natal/RN, 68% of the population uses some kind of individual system for their domestic sewers treatment, being that the most used it is septic tank, followed by sumidouro. Every treatment system of sewers, usually used, generates a by-product denominated sludge. That residue presents some components, in its constitution, undesirable under the environmental and sanitary point of view. In such case, to assure that the system treatment has satisfactory results, it is necessary to do the adjusted disposition of the sludge sewage. Several countries are looking for technical alternatives for the use and disposition of residues. Under technical and environmental conditions appropriate, these materials can be used, decreasing the consumption of the natural resources and the treatment need, storage or elimination of the wastes, what decrease the risks created. Some of the alternatives of recycling of the sludge sewage are: the application in the agriculture, in the production of energy and as raw material in the civil construction. This study evaluated asphalt mixtures behavior that partially substituted conventional aggregates by septic tank sludge. The septic tank sludge gave origin to two raw materials called raw sludge and sludge ash. The raw sludge was put as a small aggregate and the sludge ash as filler. In the first experiment it was made a comparison between the mixture with conventional aggregates and the mixtures that replaced sand by raw sludge in the proportions from 5% to 40%. In the second experiment, it was made comparison between mixtures with 1%, 2% and 3% of sludge ash and cement. The stages developed along the study were: physical characterization of the conventional materials; physical, chemistry, thermal, mineralogical characterizations and analysis of environmental risk of the raw sludge; physical characterization and analysis of environmental risk of the sludge ash; analysis of the mixtures performance through its volumetric and mechanical characteristics; forecast of the mixtures susceptibility in the moisture presence. For the grain size composition used and with the percentage asphalt adopted, the mixtures with up to 7,5% of raw sludge in his composition attend to the National Department of Transports Infrastructure (DNIT) specifications. However, in agreement with the mixtures susceptibility in the moisture presence, the mixtures with addition of raw sludge don't present satisfactory acting. In such case, they could be used in arid and semi-arid areas. The raw sludge application in mixtures increased their voids volume and their stability. However, it damaged mixtures adhesiveness. Mixtures with sludge ash and with cement presented similar behavior. However, mixtures with sludge ash presented a better performance than mixtures with cement as for their stability and their tensile strength ratio. The mixture with 1% of sludge ash is better. The wastes studied don't represent environmental risk