Please use this identifier to cite or link to this item: https://hdl.handle.net/10216/101489
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dc.creatorMara G Freire
dc.creatorPedro J Carvalho
dc.creatorLuis M N B F Santos
dc.creatorLigia R Gomes
dc.creatorIsabel M Marrucho
dc.creatorJoao A P Coutinho
dc.date.accessioned2019-04-17T23:11:15Z-
dc.date.available2019-04-17T23:11:15Z-
dc.date.issued2010
dc.identifier.issn0021-9614
dc.identifier.othersigarra:49023
dc.identifier.urihttps://hdl.handle.net/10216/101489-
dc.description.abstractThis 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.
dc.language.isoeng
dc.rightsrestrictedAccess
dc.subjectEngenharia mecânica
dc.subjectMechanical engineering
dc.titleSolubility of water in fluorocarbons: Experimental and COSMO-RS prediction results
dc.typeArtigo em Revista Científica Internacional
dc.contributor.uportoFaculdade de Ciências
dc.identifier.doi10.1016/j.jct.2009.08.005
dc.identifier.authenticusP-003-9EF
dc.subject.fosCiências da engenharia e tecnologias::Engenharia mecânica
dc.subject.fosEngineering and technology::Mechanical engineering
Appears in Collections:FCUP - Artigo em Revista Científica Internacional

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