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Updated: Jun 2, 2026

Assembly and Characterization of Polyelectrolyte Complex Micelles
Published on: March 2, 2020
Effect of polymer architecture and ionic aggregation on the scattering peak in model ionomers
Lisa M Hall1, Mark J Stevens, Amalie L Frischknecht
1Computational Materials Science and Engineering Department, Sandia National Laboratories, Albuquerque, New Mexico 87185, USA.
Abstract:
We perform molecular dynamics simulations of coarse-grained ionomer melts with two different architectures. Regularly spaced charged beads are placed either in the polymer backbone (ionenes) or pendant to it. The ionic aggregate structure is quantified as a function of the dielectric constant. The low wave vector ionomer scattering peak is present in all cases, but is significantly more intense for pendant ions, which form compact, discrete aggregates with liquidlike interaggregate order. This is in qualitative contrast to the ionenes, which form extended aggregates.
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