Molecular dynamics simulations of aggregation behavior of sodium dodecyl sulfate on SiO2 and CaCO3 surfaces

Molecular dynamics simulations were carried out to investigate the aggregation behavior of anionic surfactant sodium dodecyl sulfate (SDS) on the surfaces of SiO2 and CaCO3. The results indicate that SDS molecules formed a spherical micelle structure near the SiO2 surface; moreover, there were more...

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Bibliographic Details
Published in:Surface and interface analysis 2018-03, Vol.50 (3), p.284-289
Main Authors: Wang, Xiumin, Wu, Gang, Yuan, Congtai, Zhu, Qianqian, Li, Chunling, Sun, Shuangqing, Hu, Songqing
Format: Article
Language:English
Subjects:
Agglomeration
aggregation
Calcium carbonate
kinetics
Molecular dynamics
molecular simulation
Molecular structure
Silicon dioxide
Simulation
Sodium dodecyl sulfate
solid surface
surfactants
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Summary:Molecular dynamics simulations were carried out to investigate the aggregation behavior of anionic surfactant sodium dodecyl sulfate (SDS) on the surfaces of SiO2 and CaCO3. The results indicate that SDS molecules formed a spherical micelle structure near the SiO2 surface; moreover, there were more head groups near the SiO2 surface. However, they could form a self‐assemble film on the CaCO3 surface. The self‐assemble film of SDS on the CaCO3 surface was more stable than that on the SiO2 surface. Our simulation results have a certain significance to understand the aggregation behavior of SDS on different surfaces on molecular level.
ISSN:0142-2421
1096-9918
DOI:10.1002/sia.6366