By means of molecular dynamics simulation, the process of the microphase separation in the melts of diblock helix–coil copolymers comprising a flexible and a helical block was studied. The resulting microstructures were examined, and the spatial distribution of the blocks and molecular packing were investigated. The phase diagram was built in terms of the fraction of the helical block and the incompatibility parameter of the blocks. The comparison of the diagrams for helix–coil and the classic coil–coil copolymer blends was carried out. It was shown that the total region where the ordering into distinctive microstructures takes place is similar for both diagrams. But for the helix–coil copolymers the area of the cylinders splits into the region of those with circular and elliptical cross-sections; the bicontinuous phase area is much wider; in the lamellar phases, the helical blocks were oriented precisely perpendicular to the lamellar interface, forming a cohesive interlocked structure of densely packed helices.

中文翻译：

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螺旋线圈嵌段共聚物熔体中的微相分离：计算机模拟

通过分子动力学模拟，研究了由柔性和螺旋嵌段组成的双嵌段螺旋-螺旋共聚物熔体中的微相分离过程。检查所得的微观结构，并研究嵌段的空间分布和分子堆积。根据螺旋块的分数和块的不相容性参数构建相图。对螺旋线圈和经典线圈线圈共聚物共混物的图表进行了比较。结果表明，两个图的排序为独特微结构的总区域相似。但是对于螺旋-线圈共聚物，圆柱体的面积分为圆形和椭圆形横截面的区域；双连续相区域更广；