762 resultados para isothermal CSTR
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Pós-graduação em Matematica Aplicada e Computacional - FCT
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Materiais estruturais utilizados no projeto de equipamentos e instalações industriais podem apresentar mudança de seu comportamento à fratura quando se varia a temperatura. Este tipo de comportamento caracteriza-se pela existência de uma curva de transição, onde 3 regiões ficam bem definidas: os patamares inferior e superior e a região de transição. Na região de transição, os resultados experimentais apresentam alto espalhamento e são bastante dependentes da geometria ensaiada. Para solucionar este problema, foi desenvolvido um modelo analítico experimental, que resultou na edição da norma ASTM E1921-97. O trabalho inclui um estudo da influência de diversas rotas de tratamentos térmicos aplicadas em um aço 4130 utilizado pela indústria aeronáutica, um aço de qualidade API utilizado pela indústria petrolífera e um aço da classe A516 atualmente utilizado pela indústria nacional de vasos de pressão, na microestrutura, propriedades mecânicas de tração e tenacidade à fratura. Os resultados mostraram que o aço 4130 A450, apresentou a melhor correlação entre resistência e tenacidade entre as microestruturas pesquisadas. Este comportamento deve estar associado a rota de tratamento térmico aplicada a esta condição. O tratamento de austêmpera possibilita a formação de bainita que, tradicionalmente é conhecida por apresentar elevados valores de tenacidade. O método proposto pela ASTM pode ser considerado viável para as diversas microestruturas pesquisadas ampliando a aplicação da metodologia que recomenda o ensaio apenas para aços ferríticos. No entanto, a metodologia da Curva Mestra em materiais tratados termicamente deve ser conduzida de forma a se estabelecer parâmetros que considerem as modificações microestruturais sofridas pelo material.
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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The dehydration, thermal decomposition and transition phase stage of Zn(II)-diclofenac compoundwere studied by simultaneous TG-DTA and DSC techniques. The TG and DSC curves of this compoundwere obtained with the mass of sample of 2 and 5 mg. Additionally, DSC curves were carried out inopened and closed a-alumina pans under static and nitrogen atmosphere. The DTA and DSC curves showthat this compound possesses exothermic transition phase between 170-180 ºC, which it is irreversible(monotropic reaction). The kinetics study of this transition phase stage was evaluated by DSC undernon-isothermal conditions. The obtained data were evaluated with the isoconversional method, where thevalues of activation energy (Ea/kJmol-1) was plotted in function of the conversion degree (a). The resultsshow that due to mass sample, different activation energies were obtained. From these curves a tendencycan be seen where the plots maintain the same profile for closed lids and almost run parallel to each other.
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The kinetic of mullite crystallization from sol–gel method, with different water content, was investigated under non-isothermal conditions using DTA. The sols were obtained from Al(NO3)3.9H2O (ANN) and Si(OC2H5)4 (TEOS) mixtures by varying the water–alcohol content of the system. The crystalline phase changes were verified by X-ray diffraction (XRD). For a sample prepared using ethanol-based alkoxide solution (M0), only Al-poor mullite (p-mullite) crystallizes at 1000 °C; for the one synthesized with low water concentration (M6) Al-rich mullite (r-mullite) and spinel crystallize together; and for a sample prepared using a water-based alkoxide solution only spinel is formed. Thus, the variation of water contents during the synthesis caused great variations in the course of mullitization process. The average value of the apparent activation energy determined for p-mullite, r-mullite and spinel phase crystallization were found to be E = (899 ± 61) kJ mol−1, E = (1015 ± 272) kJ mol−1 and E = (980 ± 196) kJ mol−1, respectively. These results showed that sample M(0) was a monophasic gel, where aluminum and silicon atoms are mixed at a molecular level while sample M(100) was a diphasic gel, where silicon and aluminum atoms are distributed in a nanometric level. The fast reaction between TEOS and water molecules is responsible for this great difference in the sample's homogeneity. The kinetic model of the crystallization process was determined using Malek's procedure. It was established that the crystallization of p-mullite, r-mullite and spinel phase can be described by Šesták–Berggren autocatalytic model.
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Pós-graduação em Biotecnologia - IQ
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Monte Carlo simulations of water-tetrahydrofuran (THF) mixtures were performed in the isothermal-isobaric ensemble (NPT) at T = 298 K and p = 1 atm. The interaction energy was calculated using the TIP4P model for water and a five-site united atom representation for the THF molecule. The potential energy surfaces for water-THF interactions were obtained by using combining rules and the original potential functions used for pure liquids. Theoretical values obtained for the average interaction energy as a function of concentration are in good agreement with available experimental data. Results from the partitioning of the total interaction energy into water-water, water-THF and THF-THF contributions are presented. These results are useful to distinguish between the quantitative contributions of these molecular interactions to the energetic behavior of the water-THF mixing process. The radial distribution functions for HW-OTHF and OW-OTHF site-site interactions show the salient features of hydrogen-bonded liquids. Comparison of the average number of water-water complexes interacting through hydrogen bonding in water-THF and water-methanol mixtures shows an enhancement of the water-water coordination number in a THF rich environment. © 1995.
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)