Liu Dongmei, Gong Kai, Lin Ye, Liu Tao, Liu Yu, Duan Xiaozheng
School of Science, North China University of Science and Technology, Tangshan 063210, China.
State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, China.
Polymers (Basel). 2021 May 8;13(9):1516. doi: 10.3390/polym13091516.
We investigated the interfacial properties of symmetric ternary // and // polymeric blends by means of dissipative particle dynamics (DPD) simulations. We systematically analyzed the effects of composition, chain length, and concentration of the copolymers on the interfacial tensions, interfacial widths, and the structures of each polymer component in the blends. Our simulations show that: (i) the efficiency of the copolymers in reducing the interfacial tension is highly dependent on their compositions. The triblock copolymers are more effective in reducing the interfacial tension compared to that of the diblock copolymers at the same chain length and concentration; (ii) the interfacial tension of the blends increases with increases in the triblock copolymer chain length, which indicates that the triblock copolymers with a shorter chain length exhibit a better performance as the compatibilizers compared to that of their counterparts with longer chain lengths; and (iii) elevating the triblock copolymer concentration can promote copolymer enrichment at the center of the interface, which enlarges the width of the phase interfaces and reduces the interfacial tension. These findings illustrate the correlations between the efficiency of copolymer compatibilizers and their detailed molecular parameters.
我们通过耗散粒子动力学(DPD)模拟研究了对称三元聚合物共混物的界面性质。我们系统地分析了共聚物的组成、链长和浓度对共混物中各聚合物组分的界面张力、界面宽度和结构的影响。我们的模拟结果表明:(i)共聚物降低界面张力的效率高度依赖于其组成。在相同链长和浓度下,三嵌段共聚物比二嵌段共聚物在降低界面张力方面更有效;(ii)共混物的界面张力随着三嵌段共聚物链长的增加而增加,这表明与链长较长的三嵌段共聚物相比,链长较短的三嵌段共聚物作为增容剂表现出更好的性能;(iii)提高三嵌段共聚物浓度可促进共聚物在界面中心富集,这会扩大相界面宽度并降低界面张力。这些发现阐明了共聚物增容剂的效率与其详细分子参数之间的相关性。