Diffusion in Lamellae, Cylinders, and Double Gyroid Block Copolymer Nanostructures

Abstract

We study transport of penetrants through nanoscale morphologies motivated by common block copolymer morphologies, using confined random walks and coarse-grained simulations. Diffusion through randomly oriented grains is 1/3 for cylinder and 2/3 for lamellar morphologies versus an unconstrained (homopolymer) system, as previously understood. Diffusion in the double gyroid structure depends on the volume fraction and is 0.47-0.55 through the minority phase at 30-50 vol % and 0.73-0.80 through the majority at 50-70 vol %. Thus, among randomly oriented standard minority phase structures with no grain boundary effects, lamellae is preferable for transport.