Ordered microstructures by assembly of ABC 3-miktoarm star terpolymers and linear homopolymers

Abstract

Ordered microstructures assembled from the mixture of the ABC 3-miktoarm star terpolymers and the linear homopolymers have been investigated by using dynamic density functional theory. The simulations reveal that completely different ordered microphase pattern is found with addition of a few percent homopolymers that is identical in component to one of the arms on the ABC 3-miktoarm star terpolymer. For example, the original density pattern of ABC 3-miktoarm star terpolymers with parameters of N(A)=N(B)=N(C)=10 and chi(AB)=0.90, chi(BC)=chi(CA)=0.45 is in a perfectly ordered knitting feature. However, with gradual addition of the linear polymer same as block C on ABC 3-miktoarm star terpolymer into the system, the density patterns evolve with the volume fraction of the linear polymer from the ordered knitting patterns into the hexagonal patterns. Furthermore, with addition of linear polymers same as block A, lamellar microstructure has finally resulted. The simulation points out a way for designing and manufacturing nanomaterials with totally different microstructures.

Monte Carlo Simulation Studies of the Size and Shape of Linear and Star‐Branched Copolymers Embedded in a Tetrahedral Lattice

“…Apart from experimental characterization, numerical investigations of model chains are the most direct approach to study these systems. Therefore, a lot of effort has been put into the investigation of block copolymer and miktoarm stars based on lattice Monte Carlo algorithms [5][6][7][8][9][10][11][12][13][14][15][16] as well as molecular dynamics, [17][18][19][20][21][22] in many cases focusing the attention to a quantitative description or the graphical presentation of microdomains.…”

Systematic Transitions of Tiling Patterns Formed by ABC Star-Shaped Terpolymers

“…It is known that block and graft copolymers with incompatible components exhibit periodic nanophase-separated structures in condensed states due to the strong repulsion forces among the different chemical components. − The nanophase-separated structures adopt various morphologies such as spherical, cylindrical, bicontinuous, and lamellar structures in a volume fraction-dependent manner. Attention has been recently focused on experimental − and theoretical − investigations of ABC star-shaped terpolymers as a result of the attractive nanophase-separated structures that arise from the restricted connectivity among the component chains.…”

Composition dependence of nanophase‐separated structures formed by star‐shaped terpolymers of the A1.0B1.0CX type

“…Several groups have predicted morphological transition of the ABC star‐shaped terpolymers by computer simulation methods 27–33. Especially Gemma et al have reported on morphological variation of the ABC star‐shaped terpolymers of the type A 1.0 B 1.0 C X , covering wide composition range, 0.17 ≫ X ≫ 25, by the Monte‐Carlo method 28.…”