Molecular dynamics simulations of electrostatic layer-by-layer self-assembly.

Venkateswarlu Panchagnula, Junhwan Jeon, Andrey V Dobrynin
Author Information
  1. Venkateswarlu Panchagnula: Polymer Program, Institute of Materials Science and Department of Physics, University of Connecticut, Storrs, Connecticut 06269, USA.

Abstract

Electrostatic assembly of multilayered thin films through sequential adsorption of polyions in layer-by-layer fashion utilizes the strong electrostatic attraction between oppositely charged molecules. We perform molecular dynamics simulations of multilayers of flexible polyelectrolytes around a charged spherical particle. Our simulations establish that the charge reversal after each deposition step is a crucial factor for the steady layer growth. The multilayers appear to be nonequilibrium structures.

MeSH Term

Algorithms
Computer Simulation
DNA
Electrolytes
Macromolecular Substances
Models, Chemical
Polymers
Proteins
Static Electricity

Chemicals

Electrolytes
Macromolecular Substances
Polymers
Proteins
DNA

Word Cloud

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