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dc.contributor.authorHyde, Anita
dc.contributor.authorOhshio, M.
dc.contributor.authorNguyen, C.V.
dc.contributor.authorYusa, S.I.
dc.contributor.authorYamada, N.L.
dc.contributor.authorPhan, Chi
dc.date.accessioned2020-06-02T02:15:52Z
dc.date.available2020-06-02T02:15:52Z
dc.date.issued2019
dc.identifier.citationHyde, A.E. and Ohshio, M. and Nguyen, C.V. and Yusa, S.I. and Yamada, N.L. and Phan, C.M. 2019. Surface properties of the ethanol/water mixture: Thickness and composition. Journal of Molecular Liquids. 290: Article No. 111005.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/79506
dc.identifier.doi10.1016/j.molliq.2019.111005
dc.description.abstract

Ethanol is a common amphiphilic solvent often used in conjunction with water. However, despite its widespread use, key questions regarding the thickness and composition of molecules at the ethanol/water/air surface remain unclear. Recent thermodynamic analyses, Bagheri and co-authors (2016) and Santos and Reis (2018), indicated that the interfacial thickness is not constant. However, the interfacial thickness from these two analyses follows opposite trends. This study aims to provide a detailed description of the thickness and composition of the interfacial layer by combining neutron reflectivity (NR) experiments with rigorous molecular simulation. The interfacial composition was determined from molecular simulations and, in conjunction with the Gibbs excess concentration, used to calculate the interfacial thickness. It was found that the thickness decreased exponentially and reached a plateau of ~ 8.2 Å. The results confirm the trends obtained thermodynamically from surface tension. The study also provides a new theoretical framework to describe the interfacial layer of water/alcohol mixtures.

dc.languageEnglish
dc.publisherELSEVIER
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectScience & Technology
dc.subjectPhysical Sciences
dc.subjectChemistry, Physical
dc.subjectPhysics, Atomic, Molecular & Chemical
dc.subjectChemistry
dc.subjectPhysics
dc.subjectEthanol/water mixture
dc.subjectSurface adsorption
dc.subjectNeutron reflectivity
dc.subjectMOLECULAR ARRANGEMENT
dc.subjectWATER
dc.subjectALCOHOL
dc.subjectADSORPTION
dc.subjectMETHANOL
dc.subjectTENSION
dc.titleSurface properties of the ethanol/water mixture: Thickness and composition
dc.typeJournal Article
dcterms.source.volume290
dcterms.source.issn0167-7322
dcterms.source.titleJournal of Molecular Liquids
dc.date.updated2020-06-02T02:15:52Z
curtin.departmentWASM: Minerals, Energy and Chemical Engineering
curtin.accessStatusOpen access
curtin.facultyFaculty of Science and Engineering
curtin.contributor.orcidPhan, Chi [0000-0002-1565-8193]
curtin.contributor.orcidNguyen, Van Cuong [0000-0003-0307-2969]
curtin.contributor.researcheridPhan, Chi [P-3775-2015]
curtin.identifier.article-numberUNSP 111005
dcterms.source.eissn1873-3166
curtin.contributor.scopusauthoridPhan, Chi [7004175765]
curtin.contributor.scopusauthoridNguyen, Van Cuong [56843313800]


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