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A molecular dynamics study of structure and dynamics of surfactant molecules in SDS spherical micelle
An analysis of structure and dynamics of surfactant molecules in SDS micelle is presented based on molecular dynamics calculations. Two-dimentional surface correlation function for the hydrophilic sulfur atoms as well as the bond analysis between the hydrophobic alkyl chains shows that the surfact...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2007
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| Series: | Condensed Matter Physics |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/118949 |
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| Summary: | An analysis of structure and dynamics of surfactant molecules in SDS micelle is presented based on molecular
dynamics calculations. Two-dimentional surface correlation function for the hydrophilic sulfur atoms as well
as the bond analysis between the hydrophobic alkyl chains shows that the surfactant molecules are packed
sparsely in the micelle such that they form a soccer ball-like structure characterized by the coordination number
of three. The hydrophobic bond between the surfactant molecules is produced and annihilated repeatedly
in a time scale of about 100 ps but disappears by their diffusion in a time scale of about 1 ns. |
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