Monte Carlo Simulation of the Self-assembly Behavior of Cyclic Diblock Copolymers under Soft Confinement
The self-assembly behavior of cyclic diblock copolymers under soft confinement was studied by means of Monte Carlo simulation.The simulation results show that by adjusting the block ratio,the cyclic AB diblock copolymers can form various ordered structures under soft confinement,such as pupa-like particles with alternating layers formed by A and B blocks,ellipsoidal particles with cylinders formed by A blocks surrounding the phase formed by B blocks,and patch-like particles with hexagonally packed blocks formed by A blocks.By investigating the effects of the incompatibility between different blocks and the hydrophobicity of blocks on the morphology and self-assembly process of the system,the simulation results indicate the formation conditions for patch-like particles.In systems with weak hydrophobicity of blocks or strong incompatibility between different types of blocks,the minority blocks A prefer to form patch-like particles with blocks embedded in the continuous phase formed by the majority blocks B.The simulation results above can provide theoretical basis and new ideas for the potential application of cyclic diblock copolymers in the field of nanomaterials,and further understand the self-assembly behavior of cyclic diblock copolymers under soft confinement.
Cyclic block copolymerSoft confinementSelf-assemblyMonte Carlo simulation
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