Computational studies on the behaviour of anionic and nonionic surfactants at the SiO_{2} (silicon dioxide)/water interface
Molecular dynamics simulations to study the behaviour of anionic (Sodium Dodecylsulfate, SDS) and nonionic (Monooleate of Sorbitan, SPAN80) surfactants close to a SiO_{2} (silicon dioxide) surface were carried out. Simulations showed that a water layer was first adsorbed on the surface and then the...
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Online Access: | http://dx.doi.org/10.5488/CMP.19.13602 |
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doaj-edbb524a921940e49b7b3714a1d7586d2020-11-24T22:32:29ZengInstitute for Condensed Matter PhysicsCondensed Matter Physics1607-324X2016-02-011911360210.5488/CMP.19.13602Computational studies on the behaviour of anionic and nonionic surfactants at the SiO_{2} (silicon dioxide)/water interface E. Nunez-Rojas H. DominguezMolecular dynamics simulations to study the behaviour of anionic (Sodium Dodecylsulfate, SDS) and nonionic (Monooleate of Sorbitan, SPAN80) surfactants close to a SiO_{2} (silicon dioxide) surface were carried out. Simulations showed that a water layer was first adsorbed on the surface and then the surfactants were attached on that layer. Moreover, it was observed that water behaviour close to the surface influenced the surfactant adsorption since a semi-spherical micelle was formed on the SiO_{2} surface with SDS molecules whereas a cylindrical micelle was formed with SPAN80 molecules. Adsorption of the micelles was conducted in terms of structural properties (density profiles and angular distributions) and dynamical behaviour (diffusion coefficients) of the systems. Finally, it was also shown that some water molecules moved inside the solid surface and located at specific sites of the solid surface. http://dx.doi.org/10.5488/CMP.19.13602computer simulationsSDS surfactantSPAN80 surfactantadsorptionCristobalite |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
E. Nunez-Rojas H. Dominguez |
spellingShingle |
E. Nunez-Rojas H. Dominguez Computational studies on the behaviour of anionic and nonionic surfactants at the SiO_{2} (silicon dioxide)/water interface Condensed Matter Physics computer simulations SDS surfactant SPAN80 surfactant adsorption Cristobalite |
author_facet |
E. Nunez-Rojas H. Dominguez |
author_sort |
E. Nunez-Rojas |
title |
Computational studies on the behaviour of anionic and nonionic surfactants at the SiO_{2} (silicon dioxide)/water interface |
title_short |
Computational studies on the behaviour of anionic and nonionic surfactants at the SiO_{2} (silicon dioxide)/water interface |
title_full |
Computational studies on the behaviour of anionic and nonionic surfactants at the SiO_{2} (silicon dioxide)/water interface |
title_fullStr |
Computational studies on the behaviour of anionic and nonionic surfactants at the SiO_{2} (silicon dioxide)/water interface |
title_full_unstemmed |
Computational studies on the behaviour of anionic and nonionic surfactants at the SiO_{2} (silicon dioxide)/water interface |
title_sort |
computational studies on the behaviour of anionic and nonionic surfactants at the sio_{2} (silicon dioxide)/water interface |
publisher |
Institute for Condensed Matter Physics |
series |
Condensed Matter Physics |
issn |
1607-324X |
publishDate |
2016-02-01 |
description |
Molecular dynamics simulations to study the behaviour of anionic (Sodium Dodecylsulfate, SDS) and nonionic (Monooleate of Sorbitan, SPAN80) surfactants close to a SiO_{2} (silicon dioxide) surface were carried out. Simulations showed that a water layer was first adsorbed on the surface and then the surfactants were attached on that layer. Moreover, it was observed that water behaviour close to the surface influenced the surfactant adsorption since a semi-spherical micelle was formed on the SiO_{2} surface with SDS molecules whereas a cylindrical micelle was formed with SPAN80 molecules. Adsorption of the micelles was conducted in terms of structural properties (density profiles and angular distributions) and dynamical behaviour (diffusion coefficients) of the systems. Finally, it was also shown that some water molecules moved inside the solid surface and located at specific sites of the solid surface. |
topic |
computer simulations SDS surfactant SPAN80 surfactant adsorption Cristobalite |
url |
http://dx.doi.org/10.5488/CMP.19.13602 |
work_keys_str_mv |
AT enunezrojas computationalstudiesonthebehaviourofanionicandnonionicsurfactantsatthesio2silicondioxidewaterinterface AT hdominguez computationalstudiesonthebehaviourofanionicandnonionicsurfactantsatthesio2silicondioxidewaterinterface |
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