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Published on: October 10, 2013
Conformations and interactions of star-branched polyelectrolytes
1Institut für Theoretische Physik II, Heinrich-Heine-Universität Düsseldorf, Universitätsstrasse 1, D-40225 Düsseldorf, Germany.
Abstract:
Combining monomer-resolved molecular dynamics simulations with a theory based on a variational free energy, we calculate the conformational properties and the effective interactions of star-branched polyelectrolytes for a large variety of arm numbers, degrees of polymerization, and charge fractions, with and without added salt. We find quantitative agreement between theory and simulation and put forward analytical expressions that allow the calculation of the interaction between such macromolecules.
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