Self-assembled Study Of Diblock Copolymers Confined In Nanopores With Different Shapes

In recent years,self-assembly of block copolymers confined in nanopores has attracted much attention.Existing experimental and theoretical simulation studies have shown that self-assembly of copolymer can form a variety of nano-structures different from bulk phase under limited conditions.Therefore,it is necessary to further investigate the self-assembly behavior of diblock copolymer.In this dissertation,the self-assembly behavior of diblock copolymers confined in nanopore of different shapes was studied by simulated annealing and single bond fluctuation model.The effects of volume fraction of copolymer,interaction between copolymer and pore wall and size of nanopore(R)on the structure of self-assembled polymers were analyzed.In this dissertation,the copolymer morphology was classified by the volume fraction of copolymer and the interaction between copolymer and pore wall.When the volume fraction of diblock copolymer is constant,the results show that the interaction between copolymer and pore wall plays a dominant role in the morphology of the polymer,and the morphology of the polymer is diverse under different forces.When the hole wall attracts the short block,it can be observed that: with the increasing volume fraction of block A,more and more block A covers the hole wall,making the outer wall more and more full without patches.When the copolymer was a symmetric diblock copolymer with neutral pore wall,we found that the morphology of the polymer tended to be layered.When the interaction between the diblock copolymer and the pore wall is constant,the results show that the volume fraction of the block copolymer plays a dominant role in the morphology of the polymer.Under the same force,the block copolymer itself presents a periodic law,and the internal morphology of the block copolymer is similar to that of the small pore size,and the order of appearance is similar.The morphologic evolution of copolymers with similar volume fractions was similar.Through the study of this dissertation,it can be found that when the copolymer is confined to the columnar nanopores,equilateral triangular nanopores and square nanopores,the copolymer morphology also changes.Therefore,the shape of the pore wall also has a certain degree of influence on the morphological change of the block copolymer.