Conformations and solution structure of polyelectrolytes in poor solvent

Using extensive Molecular Dynamics (MD) simulations we study the behavior of polyelectrolytes in poor solvents, where we take explicitely care of the counterions. The resulting pearl‐necklace structures are subject to strong conformational fluctuations, only leading to small signatures in the form f...

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Veröffentlicht in:	Macromolecular symposia. 2004-04, Vol.211 (1), p.43-54
Hauptverfasser:	Limbach, Hans Jörg, Holm, Christian, Kremer, Kurt
Format:	Artikel
Sprache:	eng
Schlagworte:	computer modeling Density Fluctuation hydrogels Molecular dynamics Molecular structure Monomers polyelectrolytes Signatures Simulation solution properties Solvents
Online-Zugang:	Volltext
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