Berlin 2005 – scientific programme

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CPP: Chemische Physik und Polymerphysik

CPP 8: SYMPOSIUM: Polymer networks and beyond: From molecular structure to materials and biological functions III

CPP 8.4: Talk

Saturday, March 5, 2005, 15:30–15:45, TU C243

On the Swelling Behaviour of Polyelectrolyte Networks — •Bernward A. Mann, Christian Holm, and Kurt Kremer — MPI für Polymerforschung, Ackermannweg 10, 55128 Mainz, Germany

Charged Hydrogels have long been essential ingredients in multiple industrial products of our daily life, e.g. as superabsorbants. While extensively studied experimentally, theoretical treatment usually applied rather simplistic models to be able to describe the swollen equilibrium state.

Employing molecular dynamics computer simulations, it is now possible to investigate their swelling behaviour independent of analytical assumptions made. In our previous work [1,2], we considered a model network with explicit counterions immersed in good solvent and close to the θ-point, carefully detailing the interplay of the different pressure contributions.

Expanding on this, we are reporting on our findings regarding poor solvent conditions, which drastically alter the swelling behaviour of the polyelectrolyte networks. Not only can the pearl-necklace-structures and the "sausage" regime be found, both known from simulations of single polyelectrolyte chains, but the network connectivity also allows for other structures to be formed, such as e.g. candle-like strands.

[1] B. Mann, R. Everaers, C. Holm, K. Kremer, EPL 17, 786 (2004).

[2] B. Mann, R. Everaers, C. Holm, K. Kremer, submitted.