共聚物在不相容共混体系中界面行为的Monte Carlo模拟

MONTE CARLO SIMULATION ON THE PHASE BEHAVIOR OF COPOLYMERS IN IMMISCIBLE POLYMER BLENDS

用自由体积扩散 (FVD)算法模拟了不同结构的共聚物在不相容熔融共混体系中的界面行为 ,模拟结果表明 ,加入少量共聚物后 ,共混体系的相分离程度明显降低 ,从其形貌来看 ,分散相相区尺寸变得更小 ,更分散。所有这些表明 ,加了共聚物作为增容剂后 ,共混体系的相容性有明显的提高。而交替共聚物比相应的二嵌段共聚物增容效果更好 ,与文献中报道的实验现象基本吻合。

In this paper, Monte Carlo simulation has been employed to describe the phase behavior of the copolymers in immiscible polymer blends(A/B=75/25,V/V). Free volume diffusion(FVD) model has been used in the simulation. From the results of the simulation, we can find that the addition of both the diblock copolymer and the alternative copolymer of A and B can reduce the extent of phase separation in the A/B immiscible blends. The extent of the reduction of the alternative copolymer is larger than that of the diblock copolymer. That is to say, the alternative copolymer as a compatibilizer is more effective than the diblock copolymer.