Molecular dynamics simulations of multilayer polyelectrolyte films: Effect of electrostatic and short-range interactions

Pritesh A. Patel, Junhwan Jeon, Patrick T. Mather, Andrey V. Dobrynin

Research output: Contribution to journalArticle

42 Scopus citations

Abstract

The effect of the strength of electrostatic and short-range interactions on the multilayer assembly of oppositely charged polyelectrolytes at a charged substrate was studied by molecular dynamics simulations. The multilayer buildup was achieved through sequential adsorption of charged polymers in a layer-by-layer fashion from dilute polyelectrolyte solutions. The strong electrostatic attraction between oppositely charged polyelectrolytes at each deposition step is a driving force behind the multilayer growth. Our simulations have shown that a charge reversal after each deposition step is critical for steady multilayer growth and that there is a linear increase in polymer surface coverage after the first few deposition steps. Furthermore, there is substantial intermixing between chains adsorbed during different deposition steps. We show that the polymer surface coverage and multilayer structure are each strongly influenced by the strength of electrostatic and short-range interactions.

Original languageEnglish (US)
Pages (from-to)9994-10002
Number of pages9
JournalLangmuir
Volume22
Issue number24
DOIs
StatePublished - Nov 21 2006

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Spectroscopy
  • Electrochemistry

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