Interfacial properties of fluorinated (F)-gases in azeotropic condition

dc.contributor.authorGonzalez-Barramuno, Bastian
dc.contributor.authorCea-Klapp, Esteban
dc.contributor.authorPolishuk, Ilya
dc.contributor.authorCanales, Roberto, I
dc.contributor.authorQuinteros-Lama, Hector
dc.contributor.authorMatias Garrido, Jose
dc.date.accessioned2025-01-20T21:12:53Z
dc.date.available2025-01-20T21:12:53Z
dc.date.issued2022
dc.description.abstractThe interfacial behavior in refrigerant mixtures has a major impact on heat transfer coefficients during the vaporization and condensation stages. Therefore it is appropriate to have robust models to predict their properties. In this work, molecular dynamic simulations together with density gradient theory combined with the statistical associating fluid theory of variable range employing a Mie potential (SAFT-VRMie) have been employed to model and understand the interfacial behavior in systems of azeotropic refrigerant mixtures of fluorinated gases (R32, R125, R134a, R143a, and R152a) blended with propane (R290). It is demonstrated that despite the high-non ideal behavior in these mixtures, both approaches are capable of reproducing the minimum in surface tension (aneotropy) as a function of composition and temperature for the considered mixtures. It is concluded that the minimum occurs close but not equal to the azeotropic condition. Besides, it is also observed that the azeotropic condition acts as a switching point, in which R290 starts to accumulate at the interface positively. In contrast, in all mixtures, mixtures F-gases do not exhibit surface activity. Finally, the involving azeotropic condition was reduced, without loss of rigor, to a simpler problem that involves the VLE of a pseudo-pure component, in which molecular properties are characterized to be used in molecular simulations. (c) 2022 Elsevier B.V. All rights reserved.
dc.fuente.origenWOS
dc.identifier.doi10.1016/j.molliq.2022.118604
dc.identifier.eissn1873-3166
dc.identifier.issn0167-7322
dc.identifier.urihttps://doi.org/10.1016/j.molliq.2022.118604
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/93680
dc.identifier.wosidWOS:000754528000003
dc.language.isoen
dc.revistaJournal of molecular liquids
dc.rightsacceso restringido
dc.subjectAzeotropy
dc.subjectAneotropy
dc.subjectinterfacial properties
dc.subjectmolecular dynamics
dc.subjectSAFT
dc.subject.ods13 Climate Action
dc.subject.odspa13 Acción por el clima
dc.titleInterfacial properties of fluorinated (F)-gases in azeotropic condition
dc.typeartículo
dc.volumen350
sipa.indexWOS
sipa.trazabilidadWOS;2025-01-12
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