Computer Simulations of the "Hairy Rod" Model
Using extensive Molecular Dynamics simulations we study the behavior of very rigid polyelectrolytes with hydrophobic side chains that are known to form cylindrical micelles in aqueous solution. We investigate the stability of such micelles with respect to hydrophobicity, Coulomb interaction, and mic...
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| Veröffentlicht in: | Macromolecular chemistry and physics 2005-01, Vol.206 (1), p.77-82 |
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| container_title | Macromolecular chemistry and physics |
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| creator | Limbach, Hans Jörg Holm, Christian Kremer, Kurt |
| description | Using extensive Molecular Dynamics simulations we study the behavior of very rigid polyelectrolytes with hydrophobic side chains that are known to form cylindrical micelles in aqueous solution. We investigate the stability of such micelles with respect to hydrophobicity, Coulomb interaction, and micellar size. We show that for the parameter range relevant for poly(p‐phenylene sulfonate)s (PPP) one finds a stable finite micellar size close to the experimental parameter region. We also point out that our model has some similarities to DNA solutions with added condensing agents, hinting to the possibility that the size of DNA aggregates is under certain circumstances thermodynamically limited.
DNA‐like morphologies of the polyelectrolytes. |
| doi_str_mv | 10.1002/macp.200400286 |
| format | Article |
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| ispartof | Macromolecular chemistry and physics, 2005-01, Vol.206 (1), p.77-82 |
| issn | 1022-1352 1521-3935 |
| language | eng |
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| source | Wiley Online Library Journals Frontfile Complete |
| subjects | Applied sciences associating polymers computer modeling Exact sciences and technology hairy rods micelles Organic polymers Physicochemistry of polymers polyelectrolytes Properties and characterization Solution and gel properties |
| title | Computer Simulations of the "Hairy Rod" Model |
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