Understanding polyelectrolyte multilayers: an open challenge for simulations

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.