Volume 49, Number 2, January II 2000
|Page(s)||189 - 195|
|Section||Condensed matter: structure, mechanical and thermal properties|
|Published online||01 September 2002|
Strongly charged flexible polyelectrolytes in poor solvents—from stable spheres to necklace chains
MPI für Polymerforschung - Ackermannweg 10
Postfach 3148, D-55021 Mainz, Germany
Accepted: 4 November 1999
We present a first set of molecular dynamics (MD) simulations of solutions of strongly charged, salt-free polyelectrolyte chains in poor solvent with explicit counterions. As a function of concentration the regime from dominating electrostatic interaction to strong screening is covered. The conformations vary from strongly stretched rods to isolated, stable collapsed chains involving counterion condensation.
PACS: 61.25.Hq – Macromolecular and polymer solutions; polymer melts; swelling / 36.20.-r – Macromolecules and polymer molecules / 87.15.-v – Biomolecules: structure and physical properties
© EDP Sciences, 2000
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