α,ω支化共聚物的自组织形态模拟

建立了适用于α,ω支化共聚物的自洽场理论. 通过数值求解自洽场方程, 模拟了H型、π型α,ω支化共聚物的自组织形态, 模拟结果与实验相一致. 研究了杂臂型α,ω支化共聚物的各种自组织形态及相分离程度与支链体积分率的关系, 讨论了支化点在微相间的密度分布.

Simulation on Self-assembly of α, ω Branched Copolymer

A self-consistent field theory for α,ω branched copolymers is developed, which can be extended to copolymers with any topological architecture. By solving the self-consistent field equation set numerically, ordered morphologies of α,ω branched copolymers with H shaped, π shaped and heteroarm architectures are simulated. Lamellae and hexagonal lattice phases obtained for H shaped and π shaped respectively are consistent with the experiments. Furthermore, self-assembly of heteroarm-α,ωbranched copolymers((AB)C(AB)) are investigated, and six stable microphases are uncovered. It is found that microphase morphologies are determined by the composition of three species. And variation of volume fractions for side chains will not change the ordered structure if composition is fixed. Also, simulation reveals that the junction points lie on the microphase interfaces.