Patyukova Elena, Xi Erte, Wilson Mark R
Chemistry Department, Durham University, Durham DH1 3LE, U.K.
Procter & Gamble, Mason Business Center, 8700 Mason Montgomery Road, Mason, Ohio 45040, United States.
Macromolecules. 2021 Mar 23;54(6):2763-2773. doi: 10.1021/acs.macromol.0c02840. Epub 2021 Mar 10.
In this work, we calculate Flory-Huggins phase diagrams for correlated random copolymers. We achieve it in two steps. At first, we derive a distribution function of two-letter A, B copolymer chains depending on the fraction of A-segments and AB-duplets. Then, we use the method of moments, which was developed by Sollich and Cates [Phys. Rev. Lett.80, 1998, 1365-1368] for polydisperse systems, to reduce the number of degrees of freedom of the computational problem and calculate phase diagrams. We explore how the location of transition points and composition of coexisting phases depends on the fractions of A-segments and AB-duplets in a sequence and the degree of polymerization. The proposed approach allows taking into account fractionation, which was shown to affect the appearance of the phase diagrams of statistical copolymers.
在这项工作中，我们计算了相关无规共聚物的弗洛里-哈金斯相图。我们分两步实现这一目标。首先，我们推导了由A、B两种字母组成的共聚物链的分布函数，该函数取决于A链段和AB二元组的比例。然后，我们使用索利希和凯茨[《物理评论快报》80, 1998, 1365 - 1368]为多分散体系开发的矩量法，来减少计算问题的自由度并计算相图。我们探究了转变点的位置和共存相的组成如何取决于序列中A链段和AB二元组的比例以及聚合度。所提出的方法能够考虑到分级分离，分级分离已被证明会影响统计共聚物相图的外观。
