Multicomponent polymer brushes such as block copolymer brushes or mixed polymer brushes microphase-separate into various nanoscale structures similar to block copolymer thin film. While there have been numerous theoretical and numerical efforts to predict phase behavior of polymer brushes, a larger number of system variables in brush systems than block copolymer thin films and limited understanding of their roles on morphology formation obscure nanostructure control and their applicability in nanotechnologies. Here we study the self-assembly in multicomponent polymer brushes on the planar substrate using a coarse-grained simulation model in which non-bonding Hamiltonian is described with a virial expansion of local density fields up to third order. We systematically investigate the effect of grafting density, variations in molecular weight, composition, segregation strength, and surface energy on the morphology formation in multicomponent brushes. Our results especially show the important role of surface tension in determining the topological variation of free surface and the resulting phase-separated morphologies. Furthermore, brushes under various solvents are studied, and the average brush height and roughness are compared with those in the melt condition.

Phase behavior of multicomponent polymer brushes having non-flat surface

ACS Spring Meeting 2021

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.