Molecular dynamics simulations of electrostatic layer-by-layer self-assembly.
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.
Polymer Program, Institute of Materials Science and Department of Physics, University of Connecticut, Storrs, Connecticut 06269, USA.
Venkateswarlu
V
Panchagnula
Junhwan
J
Jeon
Andrey V
AV
Dobrynin
D000465:Algorithms; D003198:Computer Simulation; D004247:DNA / Q000737:chemistry; D004573:Electrolytes / Q000737:chemistry*; D046911:Macromolecular Substances; D008956:Models, Chemical; D011108:Polymers / Q000737:chemistry*; D011506:Proteins / Q000737:chemistry; D055672:Static Electricity
D004573:Electrolytes; D046911:Macromolecular Substances; D011108:Polymers; D011506:Proteins; D004247:DNA