The Key Laboratory of Molecular Engineering of Polymers, Ministry of Education, China, and Department of Macromolecular Science, Fudan University, Shanghai 200433, China.
J Phys Chem B. 2010 Nov 25;114(46):14875-83. doi: 10.1021/jp1068335. Epub 2010 Oct 28.
The phase behaviors of multiblock terpolymer A(BC)(n)B (or A(BC)(n)) with equal volume fractions of A and compositional symmetric (BC)(n)B (or (BC)(n)) are investigated by using the pseudospectral method of the self-consistent mean field theory. These terpolymers can self-assemble into hierarchical lamellar phases of perpendicular or parallel lamellae within lamellae, and the number of B/C thin layers in the parallel phase can be varied. The relative stability among these hierarchical lamellar phases can be tuned by the three interaction parameters of χ(AB)N, χ(AC)N, and χ(BC)N. Two-dimensional phase diagrams, the cross sections of the three-dimensional phase diagram, are determined in our calculations. Our conclusion that the perpendicular phase is stable only in the case of χ(AC)N ≪ χ(AB)N < χ(BC)N is consistent with experimental observations by Bates's group. In addition, our results suggest that the existence of the perpendicular phase is generic in both types of terpolymers: A(BC)(n)B and A(BC)(n), with different values of n, even for the special case of A(BC)(n), that is, an ABC linear terpolymer.
我们采用自洽平均场理论的伪谱方法研究了等体积分数 A 和组成对称（BC）nB（或（BC）n）的多嵌段三元共聚物 A（BC）nB（或 A（BC）n）的相行为。这些嵌段共聚物可以自组装成层状相的层状相，层内有垂直或平行的层，平行相中 B/C 薄层的数量可以变化。这三种相互作用参数 χ（AB）N、χ（AC）N 和 χ（BC）N 可以调节这些分级层状相的相对稳定性。在我们的计算中，确定了二维相图和三维相图的截面。我们的结论是，只有在 χ（AC）N ≪ χ（AB）N < χ（BC）N 的情况下，垂直相才是稳定的，这与 Bates 小组的实验观察结果一致。此外，我们的结果表明，垂直相的存在在两种类型的嵌段共聚物中都是普遍存在的：A（BC）nB 和 A（BC）n，具有不同的 n 值，即使在特殊情况下 A（BC）n，即 ABC 线性嵌段共聚物也是如此。
