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Continuous polydisperse thermodynamic algorithm for a modified Flory-Huggins model: the (polystyrene + nitroethane) example

2000-02-15Artigo científico Acesso aberto
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dc.contributor.authorSousa, Hermínio C. de
dc.contributor.authorRebelo, Luís P. N.
dc.contributor.institutionDQ - Departamento de Química
dc.contributor.institutionCQFB-REQUIMTE - Centro de Química Fina e Biotecnologia (Lab. Associado REQUIMTE)
dc.contributor.pblJohn Wiley & Sons, Ltd.
dc.date.accessioned2019-03-13T23:15:19Z
dc.date.available2019-03-13T23:15:19Z
dc.date.issued2000-02-15
dc.description.abstractA modified Flory-Huggins model is presented, considering a concentration- and temperature-dependent interaction parameter, and using the methodology of Continuous Thermodynamics to take into account both polydispersity and its effect on phase equilibrium of polymeric systems. This model describes all commonly found, as well as other unusual polymer + solvent and polymer + polymer, liquid-liquid phase diagrams and is easily extended to take all possible pressure effects into consideration. Modeling and least-squares fit of polystyrene + nitroethane liquid-liquid cloud-point data have produced results in good accord with the experimental ones by using meaningfully physical parameters. These results have been used to discuss polystyrene molecular weight, pressure, and isotopic substitution effects on polystyrene + nitroethane systems. A first-order interpretation of phase equilibrium isotopic substitution effect has also been applied. It combines the simplest form of the Flory-Huggins model with the statistical theory of condensed phase isotope effects.en
dc.description.versionpublishersversion
dc.description.versionpublished
dc.format.extent20
dc.format.extent356585
dc.identifier.doi10.1002/(SICI)1099-0488(20000215)38:4<632::AID-POLB15>3.0.CO;2-Q
dc.identifier.issn0887-6266
dc.identifier.otherPURE: 3948963
dc.identifier.otherPURE UUID: 95007ab9-1e6d-454f-93b4-4ef680609429
dc.identifier.otherScopus: 0342297907
dc.identifier.otherWOS: 000085066400015
dc.identifier.otherORCID: /0000-0002-5247-2443/work/105033711
dc.identifier.urihttp://www.scopus.com/inward/record.url?scp=0342297907&partnerID=8YFLogxK
dc.identifier.urlhttps://www.scopus.com/pages/publications/0342297907
dc.language.isoeng
dc.peerreviewedyes
dc.subjectpolymer solutions
dc.subjectliquid-liquid demixing
dc.subjectisotope and pressure effects
dc.subjectgeneralized Flory-Huggins model
dc.subjectcontinuous thermodynamics
dc.subjectpolydispersity
dc.subjectCondensed Matter Physics
dc.subjectPhysical and Theoretical Chemistry
dc.subjectPolymers and Plastics
dc.subjectMaterials Chemistry
dc.titleContinuous polydisperse thermodynamic algorithm for a modified Flory-Huggins model: the (polystyrene + nitroethane) exampleen
dc.typejournal article
degois.publication.firstPage632
degois.publication.issue4
degois.publication.lastPage651
degois.publication.titleJournal of Polymer Science, Part B: Polymer Physics
degois.publication.volume38
dspace.entity.typePublication
rcaap.rightsopenAccess

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