Utilize este identificador para referenciar este registo: https://hdl.handle.net/1822/72523

Registo completo
Campo DCValorIdioma
dc.contributor.authorSilva, Nuno Miguel Sampaio Ribeiro Magalhãespor
dc.contributor.authorFerreira, Luisa A.por
dc.contributor.authorBelgovskiy, Alexander I.por
dc.contributor.authorMadeira, Pedro P.por
dc.contributor.authorTeixeira, J. A.por
dc.contributor.authorMann, Elizabeth K.por
dc.contributor.authorMann, J. Adinpor
dc.contributor.authorMeyer, William V.por
dc.contributor.authorSmart, Anthony E.por
dc.contributor.authorChernyak, Vladimir Y.por
dc.contributor.authorUversky, Vladimir N.por
dc.contributor.authorZaslavsky, Boris Y.por
dc.date.accessioned2021-05-05T20:57:11Z-
dc.date.issued2021-
dc.identifier.citationSilva, Nuno R. da; Ferreira, Luisa A.; Belgovskiy, Alexander I.; Madeira, Pedro P.; Teixeira, José A.; Mann, Elizabeth K.; Mann, J. Adin; Meyer, William V.; Smart, Anthony E.; Chernyak, Vladimir Y.; Uversky, Vladimir N.; Zaslavsky, Boris Y., Effects of different solutes on the physical chemical properties of aqueous solutions via rearrangement of hydrogen bonds in water. Journal of Molecular Liquids, 335(116288), 2021por
dc.identifier.issn0167-7322por
dc.identifier.urihttps://hdl.handle.net/1822/72523-
dc.description.abstractThe Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) spectra of the OH-stretch band in aqueous solutions of inorganic salts and organic materials; Na2SO4, NaCl, NaClO4, NaSCN, trimethylamine N-oxide, urea, poly(ethylene glycol), polyvinylpyrrolidone, and copolymer of ethylene glycol and propylene glycol (Ucon) were studied at various concentrations. The decomposition of the band into four Gaussian components peaking at 3080, 3230, 3400, and 3550 cm1 fits every compound examined here with essentially flat residuals. These components were viewed as representing four different subpopulations of water with different H-bond arrangements. The experimentally estimated relative contributions of these components depend on solute type and concentration, and correlate strongly with previously reported experimentally measured solvent features of water such as solvent dipolarity/polarizability, *, solvent H-bond donor acidity, , and solvent H-bond acceptor basicity, . We suggest that water includes an ensemble of four different subpopulations of molecules with various hydrogen bond strengths, geometry, and bond defects depending on the solute. This assumption is obviously oversimplified, but for the wide range of solutes examined here we find that a given solute changes the relative amounts of these subpopulations and hence the above solvent features of water. The solvent features, * and , in particular, describe a variety of physicochemical properties, such as water activity, osmotic coefficient, relative viscosity, permittivity, and surface tension, of aqueous solutions of various compounds. It follows therefore that all these physicochemical properties of aqueous solutions are determined by the relative amounts of the above subpopulations of water molecules.por
dc.description.sponsorshipN.DS. and J.A.T. were supported by the Portuguese Foundation for Science and Technology(FCT) under the scope of the strategic funding of UIDB/04469/2020 unit and BioTecNorte operation (NORTE 01-0145-FEDER-000004) funded by the European Regional Development Fund under the scope of Norte2020 - Programa Operacional Regional do Norte. P.P.M. was supported within the scope of the project CICECO-Aveiro Institute of Materials, UIDB/50011/2020 & UIDP/50011/2020, financed by national funds through the Portuguese Foundation for Science and Technology/MCTES. P.P.M acknowledges University of Aveiro for funding in the scope of the framework contract foreseen in the numbers 4, 5 and 6 of the article 23, of the Decree-Law 57/2016, of August 29, changed by Law 57/2017, of July 19. EKM acknowledges partial support by NSF-1709985; this work was completed while serving at the National Science Foundation.por
dc.language.isoengpor
dc.publisherElsevier 1por
dc.relationUIDB/04469/2020por
dc.relationUIDB/50011/2020por
dc.relationUIDP/50011/2020por
dc.rightsrestrictedAccesspor
dc.subjectWaterpor
dc.subjectHydrogen bondspor
dc.subjectWater Structurepor
dc.subjectSaltspor
dc.subjectPolymerspor
dc.subjectOrganic Compoundspor
dc.titleEffects of different solutes on the physical chemical properties of aqueous solutions via rearrangement of hydrogen bonds in waterpor
dc.typearticle-
dc.peerreviewedyespor
dc.relation.publisherversionhttps://www.journals.elsevier.com/journal-of-molecular-liquidspor
dc.commentsCEB54407por
oaire.citationConferencePlaceNetherlands-
oaire.citationVolume335por
dc.date.updated2021-05-05T16:06:05Z-
dc.identifier.doi10.1016/j.molliq.2021.116288por
dc.date.embargo10000-01-01-
dc.description.publicationversioninfo:eu-repo/semantics/publishedVersion-
dc.subject.wosScience & Technologypor
sdum.journalJournal of Molecular Liquidspor
dc.identifier.articlenumber116288-
Aparece nas coleções:CEB - Publicações em Revistas/Séries Internacionais / Publications in International Journals/Series

Ficheiros deste registo:
Ficheiro Descrição TamanhoFormato 
document_54407_1.pdf
Acesso restrito!
1,04 MBAdobe PDFVer/Abrir

Partilhe no FacebookPartilhe no TwitterPartilhe no DeliciousPartilhe no LinkedInPartilhe no DiggAdicionar ao Google BookmarksPartilhe no MySpacePartilhe no Orkut
Exporte no formato BibTex mendeley Exporte no formato Endnote Adicione ao seu ORCID