Modeling Microstructure Formation in Block Copolymer Membranes Using Dynamical Self-Consistent Field Theory

Block copolymers have attracted recent interest as candidate materials for ultrafiltration membranes, due to their ability to form isoporous integral-asymmetric membranes by the combined processes of self-assembly and nonsolvent-induced phase separation (SNIPS). However, the dependence of surface layer and substructure morphologies on the processing variables associated with SNIPS is not well understood nor is the interplay between microphase and macrophase separation in block copolymers undergoing such coagulation. Here, we use dynamical self-consistent field theory to simulate the microstructure evolution of block copolymer films during SNIPS and find that such films form the desired sponge-like asymmetric porous substructure only if the solvent and nonsolvent have opposite block selectivities and that otherwise they form a dense nonporous microphase-separated film. Our results could have important implications for the choices of solvent and nonsolvent in the processing of block copolymer membranes.

Automated summary

Block copolymers have the potential to form isoporous integral-asymmetric membranes through the combined processes of self-assembly and non-solvent-induced phase separation (SNIPS). However, the dependence of surface layer and substructure morphologies on the processing variables associated with SNIPS is not well understood. This study uses dynamical self-consistent field theory to simulate the microstructure evolution of block copolymer films during SNIPS and reveals the importance of solvent and non-solvent selectivity in achieving the desired porous substructure.