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Hydrogen bonding in neat aliphatic alcohols: The Gibbs free energy of self-association and molar fraction of monomer

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dc.contributor.author Sedov I.
dc.contributor.author Solomonov B.
dc.date.accessioned 2018-09-18T20:29:58Z
dc.date.available 2018-09-18T20:29:58Z
dc.date.issued 2012
dc.identifier.issn 0167-7322
dc.identifier.uri https://dspace.kpfu.ru/xmlui/handle/net/140522
dc.description.abstract The magnitudes of the Gibbs free energies of self-association for several primary aliphatic alcohols at 298 K are calculated. The fraction of monomeric molecules in bulk alcohols is determined. We started from the experimental data on the Gibbs free energies of vaporization of alcohols, and quantified the contributions from three types of solvation effects: non-specific van der Waals interactions, solvophobic effects, and hydrogen-bonding processes (self-association) using an extrathermodynamic approach. Calculated values for monomer fractions are compared and found to be in general agreement with the results obtained from various association models: CPA, NRHB, sPC-SAFT, and other data reported in literature. The influence of hydrogen bond cooperativity on the process of self-association is shown. © 2012 Elsevier B.V. All rights reserved.
dc.relation.ispartofseries Journal of Molecular Liquids
dc.subject Cooperative effect
dc.subject Gibbs energy
dc.subject Hydrogen bonding
dc.subject Monomer fraction
dc.subject Self-association
dc.title Hydrogen bonding in neat aliphatic alcohols: The Gibbs free energy of self-association and molar fraction of monomer
dc.type Article
dc.relation.ispartofseries-volume 167
dc.collection Публикации сотрудников КФУ
dc.relation.startpage 47
dc.source.id SCOPUS01677322-2012-167-SID84857357648


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  • Публикации сотрудников КФУ Scopus [24551]
    Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.

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