Gazuz Igor, Sommer Jens-Uwe
Leibniz-Institut für Polymerforschung Dresden e. V., 01069 Dresden, Germany.
Soft Matter. 2014 Oct 7;10(37):7247-55. doi: 10.1039/c4sm01293c.
We perform Monte-Carlo simulations of a binary, strongly separated mixture of A- and B-type homopolymers with some amount of random AB copolymers added. The interface is analyzed and the interface tension is calculated using the model of capillary waves. We can clearly demonstrate that random copolymers are localized at real, fluctuating interfaces between incompatible polymer species and micellization is not favored over adsorption. Our study proves that random copolymers are potential candidates for compatibilization of polymer-polymer mixtures. By simulating random copolymers in a one-component bulk and comparing their free energy to the copolymers adsorbed at the two-phase interface we show that the adsorption is thermodynamically stable. We use scaling arguments developed for ideal and non-fluctuating interfaces to rationalize the simulation results and we calculate the reduction of interface tension with increasing amount of the adsorbed copolymers.
我们对A类和B类均聚物的二元强分离混合物进行了蒙特卡罗模拟，并添加了一定量的无规AB共聚物。利用毛细波模型分析了界面并计算了界面张力。我们可以清楚地证明，无规共聚物定位于不相容聚合物物种之间真实的、波动的界面处，并且胶束化并不比吸附更有利。我们的研究证明，无规共聚物是聚合物-聚合物混合物增容的潜在候选物。通过在单一组分本体中模拟无规共聚物，并将其自由能与吸附在两相界面处的共聚物的自由能进行比较，我们表明吸附在热力学上是稳定的。我们使用为理想和非波动界面开发的标度论证来合理化模拟结果，并计算随着吸附共聚物量的增加界面张力的降低。
