Simulating the influence of additives on isoporous membrane design

Most commercially available ultrafiltration membranes suffer from wide pore size distributions, resulting in suboptimal separation performance. Self-assembly with nonsolvent induced phase separation (SNIPS) is a promising method for designing separation membranes with extremely uniform pore sizes (isoporous membranes). The choice of solvent blend and the presence of additives, such as copper (II) acetate, can greatly influence self-assembly in the casting solution. Using the random phase approximation (RPA) and self-consistent field theory (SCFT) simulations, we help rationalize the underlying mechanisms for isoporous membrane formation during the SNIPS process. We examine how ordering is affected by the interplay of solvent selectivity, polymer architecture, and the presence of additives.