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Monte Carlo simulation of phase behavior of polymer blends with special interactions

机译:具有特殊相互作用的聚合物共混物相行为的蒙特卡洛模拟

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Full Paper: The phase, behavior of A-B-random copolymer/C-homopolymer, blends with special interaction was studied by a. Monte, Carlo simulation in two dimensions. The interaction between I segment A and segment C was repulsive, whereas it was attractive between segment B and segment C. The simulation results showed that the blend became two large co-continuous phase domains at lower segment-B component compositions, indicating that the blend showed spinodal decomposition. With an increase of the segment-B component, the miscibility between the copolymer,and the polymer was gradually improved up to being miscible. In addition, it was found that segment B tended to move to the surface of the copolymer phase in the case of a lower component of segment B. On the other hand, if was observed that the average, end-to-end distances ((h) over bar) for both copolymer and polymer changed slowly with increasing segment-B component of the copolymer up to 40%, thereafter they increased considerably with increasing segment B component. Moreover, it was found that the (h) over bar of the copolymer was obviously shorter than that of the homopolymer for the segment-B composition, region from 0% to 80%. Finally, a, phase diagram showing I phase and - II phase regions under the condition of constant-temperature is presented. [References: 36]
机译:全文:a。研究了具有特殊相互作用的A-B-无规共聚物/ C-均聚物的相,行为。蒙特卡罗模拟二维。 I段A和C段之间的相互作用是排斥性的,而B段和C段之间则是有吸引力的。仿真结果表明,该混合物在较低的B段组分组成下变成了两个大的连续连续相域,表明该混合物呈旋节线分解。随着链段B组分的增加,共聚物与聚合物之间的可混溶性逐渐提高,直至可溶混。另外,发现在链段B的组分较低的情况下,链段B趋向于移动到共聚物相的表面。另一方面,如果观察到平均端到端距离(( h)超过bar),共聚物和聚合物均随着共聚物的链段B组分增加至40%而缓慢变化,此后随链段B组分增加而显着增加。此外,发现对于段-B组合物,共聚物的(h)超临界值明显短于均聚物,其范围为0%至80%。最后,给出了表示恒温条件下I相和-II相区域的相图。 [参考:36]

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