Potentials of mean force and escape times of surfactants from micelles and hydrophobic surfaces using molecular dynamics simulations
We calculate potentials of mean force (PMFs) and mean first passage times for a surfactant to escape a micelle, for both ionic sodium dodecyl sulfate (SDS) and nonionic ethoxylated alcohol (C12E5) micelles using both atomistic and coarse-grained molecular dynamics (MD) simulations. The PMFs are obta...
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 31(2015), 4 vom: 03. Feb., Seite 1336-43 |
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| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2015
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids |
| Schlagworte: | Journal Article |
| Online verfügbar |
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