Sample records for gibbs free energy
from WorldWideScience.org

Sample records 1 - 3 shown.



1

Determinação de curvas de histerese/ Determination of hysteresis curves

Leite, Vanessa Souza; Figueiredo, Wagner
2007-01-01

Resumo em português Neste trabalho apresentamos uma discussão detalhada sobre as curvas de histerese obtidas no caso do mais simples sistema magnético, o modelo de Ising. As curvas de histerese são construídas através de estados estáveis e metaestáveis do sistema. A estabilidade de cada estado é determinada pela energia livre de Gibbs do sistema para cada valor de temperatura e campo magnético externo. Também discutimos o procedimento necessário para a determinação de curvas de (mais) histerese através do método de Monte Carlo, de forma a manter o sistema em seus estados metaestáveis durante as simulações. Resumo em inglês In this work we present a detailed discussion concerning the hysteresis curves for the simplest magnetic system, the Ising model. The hysteresis curves are generated by passing along a set of stable and metastable states of the system. The stability of each state is determined by the Gibbs free energy of the system for each pair of values of temperature and field. We also discuss how we must proceed in determining hysteresis curves by the Monte Carlo method in order to keep the system in its metastable states during the simulation process.

Scientific Electronic Library Online (Portuguese)

2

Hidrogéis superabsorventes a base de acetato de celulose modificado por dianidrido 3,3', 4,4' benzofenona tetracarboxílico (BTDA): síntese, caracterização e estudos físico-químicos de absorção/ Synthesis of hydrogels of cellulose acetate (AC) cross-linked with 3,3', 4,4' benzophenonetetracarboxylic dianhydride (BTDA): characterization and adsorption physicochemical study

Botaro, Vagner R.; Santos, Cláudio G.; Oliveira, Victor A.
2009-01-01

Resumo em português Este trabalho descreve as sínteses de hidrogéis superabsorventes a base de acetato de celulose (AC), com grau de substituição 2.5, reticulado com dianidrido 3, 3', 4, 4' benzofenona tetracarboxílico (BTDA). As caracterizações das matérias primas foram realizadas por análises térmicas (TG/DTG) e espectroscopia na região do infravermelho (FTIR). O grau de substituição do acetato de celulose foi determinado por via úmida. A confirmação da reação de esterifi (mais) cação foi possível a partir da técnica de FTIR, espectroscopia UV-vis e análises térmicas (TG/DTG). A presença de poros no novo material foi analisada por microscopia eletrônica de varredura (MEV) e porosimetria (BET). A influência da concentração de dianidrido no meio reacional foi investigada, bem como a influência do aumento no grau de reticulação no comportamento térmico do material. Foram obtidas isotermas de absorção de água em diferentes temperaturas para os hidrogéis com diferentes graus de reticulação. Os coeficientes de difusão dos géis foram determinados, juntamente com a energia de ativação para o processo de inchamento usando a equação de Arrhenius. A entalpia de mistura do sistema gel-água foi determinada pela medida da quantidade máxima de água absorvida no equilíbrio a diferentes temperaturas, empregando a equação de Gibbs/Helmholtz. Resumo em inglês This work describes the synthesis of hydrogels of cellulose acetate (AC), with a nominal degree of substitution DS = 2.5, cross-linked with 3,3',4,4' benzophenonetetracarboxylic dianhydride (BTDA). The raw materials were characterized by thermal analysis (TG/DTG) and by Fourier transform infrared spectroscopy (FTIR). DS of cellulose acetate was determined by titration with a known amount of standard NaOH solution. Hydrogels of BTDA were synthesized with 0.5, 0.75 and 1.0 (mais) mol of BTDA/mol of AC. FTIR proved to be a suitable method to monitor the course of reactions and the progress of purification. UV-vis spectroscopy and analysis confirmed the esterification of the free hydroxyl groups. Surface modification of AC structure after the cross-linking reaction was analyzed by Scanning Electron Microscope (SEM) and density and porosity of the hydrogels were determined by BET. The influence of the concentration of dianhydride on the time necessary for formation of the gel was investigated. The influence from the increase in the degree of cross-linking on the thermal behavior of the material was also documented. Water absorption isotherms were obtained for hydrogels with different reticulating agents and reticulation degrees at different temperatures. The Arrhenius equation was used to determine the diffusion coefficient of the different hydrogels at distinct temperatures and the threshold energy for the swelling process. The enthalpy of mixture was determined through the measurement of the maximum quantity of water absorbed at equilibrium at different temperatures, with the Gibbs/Helmholtz equation.

Scientific Electronic Library Online (Portuguese)

3

Diagramas de Ellingham e de Van't Hoff: algumas considerações/ Ellingham and Van't Hoff diagrams: some considerations

Simoni, José de Alencar; Chagas, Aécio Pereira
2007-04-01

Resumo em inglês The main subject of this article is to show the parallelism betwen the Ellingham and Van't Hoff diagrams. The first one is a graphic representation of the changes in the standard Gibbs free energy (deltarGtheta) as a function of T and was introduced by Ellingham in 1944, in order to study metallurgic processes involving oxides and sulphides. On the other hand, the Van't Hoff diagram is a representation of the function ln K versus (1/T). The equivalence between both diagra (mais) ms is easily demonstrated, making simple mathematical manipulations. In order to show the parallelism between both diagrams, they are presented briefly and two examples are discussed. The comparison of the both diagrams surely will be helpful to students and teachers in their learning and teaching activities, and will certainly enrich important aspects of chemical thermodynamics.

Scientific Electronic Library Online (Portuguese)