Understanding polyelectrolyte multilayers: An open challenge for simulations

Juan J. Cerdà, Baofu Qiao, Christian Holm

Research output: Contribution to journalReview articlepeer-review

40 Scopus citations

Abstract

We will review the sparse attempts to model the structure and dynamics of polyelectrolyte multilayers with coarse-grained bead-spring models within a continuum solvent approach. Due to the inherent complexity and size of the system an all-atom modelling approach is not feasible. Even coarse-grain models face serious problems in reproducing the many experimental observations such as stability under many parameter combinations, and linear film growth in aqueous solutions. We will review current models, point out their shortcomings, and discuss possible extensions.

Original languageEnglish (US)
Pages (from-to)4412-4425
Number of pages14
JournalSoft Matter
Volume5
Issue number22
DOIs
StatePublished - Nov 19 2009

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics

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