Lu Teng, He Xuehao, Liang Haojun
Department of Polymer Science and Engineering, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China.
J Chem Phys. 2004 Nov 15;121(19):9702-7. doi: 10.1063/1.1792171.
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.
利用动态密度泛函理论研究了由ABC三臂星形三元共聚物和线性均聚物混合物组装而成的有序微结构。模拟结果表明，添加百分之几与ABC三臂星形三元共聚物中某一臂组分相同的均聚物时，会发现完全不同的有序微相图案。例如，参数为N(A)=N(B)=N(C)=10且χ(AB)=0.90、χ(BC)=χ(CA)=0.45的ABC三臂星形三元共聚物的原始密度图案具有完美的有序编织特征。然而，随着与ABC三臂星形三元共聚物上C嵌段相同的线性聚合物逐渐添加到体系中，密度图案随着线性聚合物的体积分数从有序编织图案演变为六边形图案。此外，添加与A嵌段相同的线性聚合物后，最终形成了层状微结构。该模拟为设计和制造具有完全不同微结构的纳米材料指出了一条途径。
