Adsorption mechanism of HTAB-octanol mixture onto silica sensor by QCM-D and MD simulation

Simple item page
dc.contributor.authorKarataş D.
dc.contributor.authorCan M.F.
dc.contributor.authorKaraguzel C.
dc.contributor.authorÇelik M.S.
dc.contributor.authorXu Z.
dc.date.accessioned2024-07-22T08:02:25Z
dc.date.available2024-07-22T08:02:25Z
dc.date.issued2023
dc.description.abstractAdsorption of a mixture of cationic surfactant, Hexadecyl Trimetehyleammonium Bromide (HTAB) and octanol on silica surface has been studied at various surfactant and octanol concentrations by QCM-D (Quartz Crystal Microbalance with Dissipation monitoring) and Molecular Dynamics (MD) simulations. In the QCM-D studies, frequency, and dissipation values with HTAB alone gradually and significantly increased from −2 to −18 Hz and 0.18 × 10−6 to 1.2 × 10−6, respectively. However, addition of octanol to HTAB was shown to achieve better adsorption properties due to the co-adsorption effect. The frequency values with increasing octanol concentrations at constant HTAB concentration of 5 × 10−4 M raised them to −10 to −20 Hz with the favorable help of hydrophobic forces. Dissipation values, on the other hand, were significantly improved in the presence of alcohol due to chain length contribution. In addition, increase in contact angle values with increasing octanol concentration at constant HTAB concentration supports the QCM-D results. Experimental studies were then corroborated by Molecular Dynamics (MD) simulations to clarify morphological and structural properties of surfactant in the presence and absence of octanol. MD simulations demonstrated that interaction of HTAB with the silica surface is much more conducive due to the presence of octanol in the medium. © 2023 Elsevier Ltd
dc.identifier.DOI-ID10.1016/j.mineng.2023.108184
dc.identifier.issn08926875
dc.identifier.urihttp://akademikarsiv.cbu.edu.tr:4000/handle/123456789/11854
dc.language.isoEnglish
dc.publisherElsevier Ltd
dc.subjectAdsorption
dc.subjectCationic surfactants
dc.subjectContact angle
dc.subjectDyes
dc.subjectQuartz crystal microbalances
dc.subjectSilica
dc.subjectAdsorption mechanism
dc.subjectAdsorption properties
dc.subjectCo-adsorption
dc.subjectDynamics simulation
dc.subjectHexadecyl trimetehyleammonium bromide
dc.subjectMolecular dynamic simulation
dc.subjectOctanol
dc.subjectQuartz crystal microbalance with dissipation monitoring
dc.subjectSilica surface
dc.subjectSilicum sensor
dc.subjectMolecular dynamics
dc.titleAdsorption mechanism of HTAB-octanol mixture onto silica sensor by QCM-D and MD simulation
dc.typeArticle

Files

Collections

Scopus Koleksiyonu