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Effect of Triton X-100 surfactant on the interfacial activity of ionic surfactants SDS, CTAB and SDBS at the air/water interface: A study using molecular dynamic simulations

dc.contributor.authorParra J.G.
dc.contributor.authorIza P.
dc.contributor.authorDominguez H.
dc.contributor.authorSchott E.
dc.contributor.authorZarate X.
dc.date.accessioned2020-09-02T22:25:22Z
dc.date.available2020-09-02T22:25:22Z
dc.date.issued2020
dc.identifier10.1016/j.colsurfa.2020.125284
dc.identifier.citation603, , -
dc.identifier.issn09277757
dc.identifier.urihttps://hdl.handle.net/20.500.12728/5753
dc.descriptionMolecular dynamics simulations were carried out to investigate the effect of TX-100 surfactant on the interfacial activity of ionic surfactants SDS, CTAB and SDBS at the air/water interface. Here, interfacial properties, molecular orientation of hydrocarbon chains of ionic surfactant and radial distribution functions between hydrophilic headgroups and water molecules at the air/water interface was evaluated by means of MD simulations. Particularly, TX-100 surfactant produces a reduction of the interfacial film thickness obtained using the water layer and increases the hydrophobic film thickness of the systems. In this investigation, we found that TX-100 surfactant present in mixed monolayers and distributed randomly on the water surface can modify the hydrophilic-lipophilic balance of the monolayer increasing the hydrophobic film thickness and reducing the adsorption of ionic surfactants at the air/water interface. Furthermore, the molecular array of these mixed monolayers obtained by the TX-100 surfactant improve the elasticity of the liquid film, which avoid the rupture of foams reducing the liquid drainage velocity of these systems. Finally, the results suggest that hydrophobic film thickness of the mixed monolayers produce by the TX-100 surfactant can reduce the diffusion of gas molecules from air phase toward the water phase, which increase the stability of foams. © 2020 Elsevier B.V.
dc.language.isoen
dc.publisherElsevier B.V.
dc.subjectHydrophobic film
dc.subjectInterfacial thickness
dc.subjectMolecular dynamics
dc.subjectTX-100 surfactant
dc.subjectDistribution functions
dc.subjectFilm thickness
dc.subjectHydrophilicity
dc.subjectHydrophobicity
dc.subjectLiquid films
dc.subjectMolecular dynamics
dc.subjectMolecular orientation
dc.subjectMolecules
dc.subjectMonolayers
dc.subjectSurface active agents
dc.subjectAir/Water Interfaces
dc.subjectHydrophilic headgroups
dc.subjectHydrophilic lipophilic balance
dc.subjectInterfacial activity
dc.subjectInterfacial film thickness
dc.subjectInterfacial property
dc.subjectMolecular dynamics simulations
dc.subjectRadial distribution functions
dc.subjectPhase interfaces
dc.subjectalkylbenzenesulfonic acid
dc.subjectcetrimide
dc.subjectdodecyl sulfate sodium
dc.subjecthydrocarbon
dc.subjectionic surfactant
dc.subjectsurface water
dc.subjecttriton x 100
dc.subjectwater
dc.subjectair
dc.subjectArticle
dc.subjectdensity
dc.subjectfilm thickness
dc.subjectfoam
dc.subjectgas
dc.subjecthydrophobicity
dc.subjectlipophilicity
dc.subjectliquid
dc.subjectmolecular dynamics
dc.subjectpriority journal
dc.subjectsimulation
dc.subjectstructure analysis
dc.subjectsurface tension
dc.titleEffect of Triton X-100 surfactant on the interfacial activity of ionic surfactants SDS, CTAB and SDBS at the air/water interface: A study using molecular dynamic simulations
dc.typeArticle


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