THERMODYNAMIC RELATIONS

Author: BROCOS FERNÁNDEZ MARÍA PILAR.
Year: 2004.
University: SANTIAGO DE COMPOSTELA [www.usc.es].
Place of defense: FACULTAD DE FÍSICA.
Place of preparation: FACULTAD DE FÍSICA.

Summary: It was a review of the literature criticizes related data refractive index in liquid binary mixtures, which impacted on the most common mistakes and errors, resolving discrepancies, and analyze the close relationship between the refractive index, molar volume and refractive molar. From this analysis comes a proposal to measure the degree of free volume, as well as recommendations to express behavior ideal c-.adamagnitud and deviations from it. As a practical application of the correlations found provides a test of consistency of the experimental data of índíce refractive volume and molar excess. Moreover, it comes at length the issue of mixing regal for ce refractive index, in order to fill some gaps in this regard in the literature, most notably the lack of a universal and universally accepted method for assessing the goodness of predictions. Moreover, it was determined experimentally to 298.15 KY atmospheric pressure a number of properties molar excess (volume, enthalpy, capacity ealorífica, refraction) in liquid binary mixtures of the type (cicloéter +) ketone, barrien'do wide concentration range. The experimental techniques used were: densimetria swing mechanics, biology driving dynamics, dynamic type Picker calorimetry, and refractometrfa angle critic. All of them are described in great detail, with special emphasis on detection, assessment and minimizing mistakes. The compounds selected for the study were the monoéteres tetrahydrofuran and tetrahidropirano, diéteres 1,3-dioxoano and 1,4 - Dioxane, and ketones ciclopentanona, 2-pentanona and 2-heptanona. This selection, which determines 12 systems éter-cetona, reveals the effect of ciclización of ketone, compare the behavior of a monoéter with his diéter homomorfo, or see how they change the properties of interest with the length of the hydrocarbon chain or ether ketone. For a discussion of results were used as tools when dipolar reduced, the magnitude proposed to measure volume free, and methods for evaluating semicuantitativos forces cohesion in pure liquids or AS interactions in mixtures. The review pointed out the management information systems to peer interest and / or related homomórficamente with them,

Author: Domínguez Pérez Montserrat.
Year: 2005.
University: A CORUÑA [www.udc.es].
Place of defense: Facultad de Ciencias.
Place of preparation: Facultad de Ciencias.

Summary: Using techniques have made high-precision measurements of the physical quantities: refractive index, density, viscosity, surface tension and heat mixture to 25Â º c and atmospheric pressure, a series of binary mixtures and tertiary, formed by the organic compounds not reaccionantes: propanoate propilo, hexane, ethylbenzene, o-xileno, m-xileno and p-xileno. Experimental data obtained revealed variations in refractive indices of the surface tension and viscosity, as well as the molar excess volumes and entalpias molar excess of these binary mixtures and tertiary, whose result can be drawn consequences great interest, both for the field of físíca of liquid, and for the world of chemical engineering / industrial. There is a detailed description of the equipment and techniques used measures, a meticulous mathematical treatment of data and draws conclusions perfectly justified response to the nature of the compound used and consistent with the extensive peer-reviewed literature.

Author: GARCIA GIMENEZ MARIA PILAR.
Year: 2006.
University: ZARAGOZA [www.unizar.es].
Place of defense: FACULTAD DE CIENCIAS.
Place of preparation: FACULTAD DE CIENCIAS.

Summary: This thesis is part of the line of research called Biotermodinámica, whose overall objective of the study thermodynamic systems containing chemicals of biological interest, and more specifically, the study of some of the interactions that occur between functional groups present in the proteins , and the interactions of these groups with other species, both in aqueous solution and in other ways polar. This compounds used "model", ie small molecules that contain any of the groups present in proteins such as peptides, amides, amino acids, etc., thus isolating the contributions of each . In this work have studied liquid binary systems consisting of three tertiary amides or disustituídas: two linear N, N-Dimethylformamide (DMF) and N, N-dimethylacetamide (DMA) and a cyclic, 1-metil-2-pirrolidona. The second component in binary systems has been studied or monocloroalcano (1-clorobutano, 1-clorohexano or 1-clorooctano) or a dicloroalcano (1,2-dichloroethane, 1,4-diclorobutano or 1,6-diclorohexano). The mono and polihaloalcanos are compounds important from the technical point of view its implementation as intermediate or final products in many processes in the chemical industry. In mixtures amide + cloroalcano identified: densities at atmospheric pressure using a densímetro Anton Paar DMA 602/60; entalpías excess, using a calorimeter of flujo-mezcla Thermometric 2277 TAM; balances líquido by ebullometría and densities high pressure with a densímetro Anton Paar DMA 512. From the point of view of applied research, a significant contribution to theoretical treatment of the thermodynamic properties of liquid systems are called predictive methods "contribution of groups" that are based on the assumption that these properties are a sum of contributions from functional groups , thus allowing correlate and predict the properties of a wide variety of systems in terms of a small number of parameters that characterize the interactions between individual groups. A model of group contribution, not only must show a good predictive power, but it must also take a stand mecano-estadístico allowing down at the molecular level in the interpretation of macroscopic properties. In this paper we have used two models predicting contribution groups: the model Nitta-Chao, and the model DISQUAC and leveraged the parameters of interaction between the functional group amide> CN = O group chlorine for all systems studied .