Self-organization of amphiphilic block copolymers in the presence of water: A mesoscale simulation

Using dissipative particle dynamics, we analyze the suitability of amphiphilic diblock copolymers as a material for high-performance proton conducting membranes of fuel cells. It is shown that the topology of water channel network within hydrated block copolymer-based membranes can be controlled by varying the copolymer blocks length. In particular, our simulations predict the formation of bicontinuous cubic phases for hydrophilic, hydrophobic blocks, and water. The interfaces between microphase-separated subphases form triply periodic minimal surfaces.