Simulations of layer-by-layer assembly of polyelectrolyte multilayers

Layer-by-layer processing of polyelectrolyte multilayers is a polymer processing technique that enables molecular-level control over the formation of precision coatings. Despite present widespread use, a fundamental understanding of the process remains elusive prompting us to employ molecular dynamics simulations of the process. Multilayer build-up was achieved through sequential adsorption of charged polymers in a layer-bylayer fashion from dilute solutions, the strong electrostatic attraction between oppositely charged polyelectrolytes driving multilayer growth. We find that a charge reversal after each deposition step is critical for steady multilayer growth and a linear increase in polymer mass adsorbed after several deposition steps. Also, substantial intermixing between chains adsorbed during different deposition steps is observed. These results will be summarized, along with a perspective for the future, in our interactive presentation.