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Alkane coiling in perfluoroalkane solutions: a new primitive solvophobic effect

2017-10Journal article Open access
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dc.contributor.authorMorgado, Pedro
dc.contributor.authorGarcia, Ana
dc.contributor.authorMartins, Luis F. G.
dc.contributor.authorIlliarco, Laura M.
dc.contributor.authorFilipe, Eduardo J. M.
dc.date.accessioned2018-12-07T14:58:08Z
dc.date.available2018-12-07T14:58:08Z
dc.date.issued2017-10
dc.description.abstractIn this work, we demonstrate that n-alkanes coil when mixed with perfluoroalkanes, changing their conformational equilibria to more globular states, with a higher number of gauche conformations. The new coiling effect is here observed in fluids governed exclusively by dispersion interactions, contrary to other examples in which hydrogen bonding and polarity play important roles. FTIR spectra of liquid mixtures of n-hexane and perfluorohexane unambiguously reveal that the population of n-hexane molecules in all-trans conformation reduces from 32% in the pure n-alkane to practically zero. The spectra of peffluorohexane remain unchanged, suggesting nanosegregatiori of the hydrogenated and fluorinated chains. Molecular dynamics simulatiOns support this analysis. The new solvophobic effect is prone to have a major impact on the structure, organization, and therefore thermodynamic properties and phase equilibria of, fluids involving mixed hydrogenated and fluorinated chains.
dc.description.sponsorshipFundacao para a Ciencia e Tecnologia [UID/NAN/50024/2013, UID/QUI/0100/2013, SFRH/BPD/81748/2011]
dc.identifier.doi10.1021/acs.langmuir.7b02516
dc.identifier.issn0743-7463
dc.identifier.urihttp://hdl.handle.net/10400.1/11877
dc.language.isoeng
dc.peerreviewedyes
dc.publisherAmerican Chemical Society
dc.subjectLiquid phase behavior
dc.subjectBinary mixtures
dc.subjectN-Alkanes
dc.subjectSemifluorinated alkanes
dc.subjectVibrational spectra
dc.subjectTernary mixtures
dc.subjectOxygen delivery
dc.subjectVolume changes
dc.subjectHexane
dc.subjectFluorocarbon
dc.titleAlkane coiling in perfluoroalkane solutions: a new primitive solvophobic effect
dc.typejournal article
dspace.entity.typePublication
oaire.citation.endPage11435
oaire.citation.issue42
oaire.citation.startPage11429
oaire.citation.titleLangmuir
oaire.citation.volume33
person.familyNameGarcia
person.givenNameAna
person.identifier.ciencia-idB214-EA2D-350A
person.identifier.orcid0000-0001-6289-4554
person.identifier.scopus-author-id7404608764
rcaap.rightsopenAccess
rcaap.typearticle
relation.isAuthorOfPublicatione49828e5-432e-46e3-a7fc-2fdbf51a237b
relation.isAuthorOfPublication.latestForDiscoverye49828e5-432e-46e3-a7fc-2fdbf51a237b

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