abstract
This work aims at providing experimental and theoretical information about the water-perfluorocarbon molecular interactions. For that purpose. experimental solubility results for water in cyclic and aromatic perfluorocarbons (PFCs), over the temperature range between (288.15 and 318.15) K, and at atmospheric pressure. were obtained and are presented. From the experimental solubility dependence on temperature, the partial molar solution and solvation thermodynamic functions such as Gibbs free energy, enthalpy and entropy were determined and are discussed. The process of dissolution of water in PFCs is shown to be spontaneous for cyclic and aromatic compounds. It is demonstrated that the interactions between the non-aromatic PFCs and water are negligible while those between aromatic PFCs and water are favourable. The COSMO-RS predictive capability was explored for the description of the water solubility in PFCs and others substituted fluorocompounds. The COSMO-RS is shown to be a useful model to provide reasonable predictions of the solubility values, as well as to describe their temperature and structural modifications dependence. Moreover, the molar Gibbs free energy and molar enthalpy of solution of water are predicted remarkably well by COSMO-RS while the main deviations appear for the prediction of the molar entropy of solution. (C) 2009 Elsevier Ltd. All rights reserved.
keywords
LIQUID-LIQUID EQUILIBRIUM; PERFLUOROCARBON EMULSIONS; SOLVATION THERMODYNAMICS; INTERFACIAL-TENSION; AGING MECHANISMS; BINARY-MIXTURES; OXYGEN; SYSTEMS; FLUOROCOMPOUNDS; TURBOMOLE
subject category
Thermodynamics; Chemistry
authors
Freire, MG; Carvalho, PJ; Santos, LMNBF; Gomes, LR; Marrucho, IM; Coutinho, JAP
our authors
Groups
G4 - Renewable Materials and Circular Economy
G5 - Biomimetic, Biological and Living Materials
acknowledgements
The authors thank financial support from Fundacao para a Ciencia e a Tecnologia through the Ph.D. Grant SFRH/BD/41562/2007 of Pedro J. Carvalho.