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Hydrogels in Poor Solvents: A Molecular Dynamics Study by Bernward A. F. Mann; Kurt Kremer; Olaf Lenz; Christian Holm is a Materials Science article available to read on EtoBox.

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## Abstract The equilibrium swelling behavior of a crosslinked polyelectrolyte gel under poor‐solvent conditions is examined. To this end, MD simulations of a coarse‐grained network model with a diamond‐like topology are employed where the counterions are explicitly taken into account. A large range of different parameter combinations in the fraction __f__ of charged monomers of the network, the strength of electrostatic interactions measured via the Bjerrum length $\ell \_{{\rm B}} $, and various strand lengths are studied. The results agree with data on single PE chains, in particular the theoretically predicted pearl necklace conformations can be identified as well as a sausage‐like regime in the strong‐coupling region.magnified image

Who reads Hydrogels in Poor Solvents: A Molecular Dynamics Study?

Author

Bernward A. F. Mann; Kurt Kremer; Olaf Lenz; Christian Holm

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Ltd.; Wiley (ISSN 1022-1344)

Published

2011

Language

EN

Field

Materials Science (Physical Sciences)