Temperature dependence of the heat capacity and vapor pressure of pure self-associated liquids. A new correlation based on a two-state association model

A recently reported [J. Chem. Phys. 2004, 120, 6648] two-state association model (TSAM) is reformulated to obtain an expression for the residual Gibbs free energy of pure self-associating liquids. From the proposed partition function, where association is considered a perturbation, a vapor pressure...

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Detalles Bibliográficos
Autores: Medeiros, M, Armas-Aleman, CO, Costas, M, Cerdeirina, CA
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2006
País:México
Institución:Universidad Nacional Autónoma de México
Repositorio:Sistema de Información de la Facultad de Ciencias, UNAM
OAI Identifier:oai:repositorio.fciencias.unam.mx:11154/1341
Acceso en línea:http://hdl.handle.net/11154/1341
Access Level:acceso abierto
Palabra clave:Engineering, Chemical
Descripción
Sumario:A recently reported [J. Chem. Phys. 2004, 120, 6648] two-state association model (TSAM) is reformulated to obtain an expression for the residual Gibbs free energy of pure self-associating liquids. From the proposed partition function, where association is considered a perturbation, a vapor pressure correlation was obtained, with a clear and separable nonspecific contribution. The new formulation does not change the reported three-or four-parameter equation for calculating residual heat capacities, their values being determined solely from experimental heat capacity data. Two new parameters are necessary to describe the nonspecific reference fluid Gibbs free energy. The resulting vapor pressure equation was fitted to experimental data for pure 1-alcohols, 1-thiols, 1-amines, and carboxylic acids with very good agreement, up to the critical point.