Segmented and double-helix multicompartment micelles from self-assembly of blends of ABC and AB block copolymers in C block-selective solvents

Abstract

In this study, we apply the Monte Carlo technique to study the self-assembly of binary blends of linear ABC triblock and AB diblock copolymers in C block-selective solvents. Our simulations predict two novel multicompartment micelles, i.e. the segmented multicompartment micelle with alternating A and B segments and the double-helix multicompartment micelle with two twisted A and B helices. The effects of control parameters, including the incompatibility between the solvophobic A and B blocks, the solvent quality for the solvophobic blocks, and the proportions of ABC and AB copolymers, on the formation of these two micellar structures are examined. Our simulations reveal that double-helix multicompartment micelles can be formed only in a very narrow window of control parameters described above. However, segmented multicompartment micelles can be generated in a relatively wide window of control parameters. Moreover, the chain packing of ABC and AB copolymers in these two micelles is investigated. It is found that ABC triblock copolymers form the outside shell of the micelles, whereas AB diblock copolymers form the inner core of the micelles.