Experimental and Computational Insights into the Thermophysical Properties of Glycerol and Triethanolamine Mixtures

Basit Öğe Kaydı
dc.contributor.authorMuzhaqi, Evis
dc.contributor.authorAltun Kavakli, Aycan
dc.contributor.authorSara, Osman Nuri
dc.contributor.authorFellah, M. Ferdi
dc.date.accessioned2026-02-12T21:04:50Z
dc.date.available2026-02-12T21:04:50Z
dc.date.issued2026
dc.departmentBursa Teknik Üniversitesi
dc.description.abstractThe density and viscosity of binary mixtures of triethanolamine (TEA) and glycerol were investigated over the full composition range at temperatures from 293.15 K to 323.15 K, under atmospheric pressure. The experimentally measured density and viscosity data were correlated with temperature-dependent equations. The excess molar volume (VE) and viscosity deviation (Delta eta) were determined and fitted using the Redlich-Kister polynomial equation. In addition, thermodynamic parameters, including partial molar volumes, apparent molar volumes, and thermal expansion coefficients, were evaluated to provide further insight into the mixing behavior of the system. Negative values of VE and Delta eta were observed over the entire range of temperatures and compositions investigated, indicating the presence of strong specific interactions between TEA and glycerol molecules. These interactions were further elucidated through Density Functional Theory (DFT) calculations. The computational results are consistent with the experimental observations, providing molecular-level support for the non-ideal volumetric and viscosity behavior of the mixtures.
dc.description.sponsorshipBursa Technical University
dc.description.sponsorshipOpen access funding provided by the Scientific and Technological Research Council of Turkiye (TUB & Idot;TAK).
dc.identifier.doi10.1007/s10765-026-03712-y
dc.identifier.issn0195-928X
dc.identifier.issn1572-9567
dc.identifier.issue3
dc.identifier.scopus2-s2.0-105029164262
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1007/s10765-026-03712-y
dc.identifier.urihttps://hdl.handle.net/20.500.12885/6674
dc.identifier.volume47
dc.identifier.wosWOS:001679404400003
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherSpringer/Plenum Publishers
dc.relation.ispartofInternational Journal of Thermophysics
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_WoS_20260212
dc.subjectBinary mixtures
dc.subjectDensity
dc.subjectDensity functional theory (DFT)
dc.subjectGlycerol
dc.subjectTriethanolamine
dc.subjectViscosity
dc.titleExperimental and Computational Insights into the Thermophysical Properties of Glycerol and Triethanolamine Mixtures
dc.typeArticle

Dosyalar

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu