Stereocomplex crystallization in asymmetric diblock copolymers was studied using dynamic Monte Carlo simulations, and the key factor dominating the formation of stereocomplex crystallites (SCs) was uncovered. The asymmetric diblock copolymers with higher degree of asymmetry exhibit larger difference between volume fractions of beads of different blocks, and local miscibility between different kinds of beads is lower, leading to lower SC content. To minimize the interference from volume fraction of beads, the SC formation in blends of asymmetric diblock copolymers was also studied. For the cases where the volume fractions of beads of different blocks are the same, similar local miscibility between beads of different blocks and similar SC content was observed. These findings indicate that the volume fraction of beads of different blocks is a key factor controlling the SC formation in the asymmetric diblock copolymers. The SC content can be regulated by adjusting the difference between the contents of beads of different blocks in asymmetric diblock copolymers.

使用动态蒙特卡洛模拟研究了不对称二嵌段共聚物中的立体配合物结晶，发现了控制立体配合物微晶（SCs）形成的关键因素。不对称度较高的不对称二嵌段共聚物在不同嵌段的珠粒的体积分数之间表现出较大的差异，并且不同种类的珠粒之间的局部混溶性较低，导致较低的SC含量。为了最小化珠粒体积分数的干扰，还研究了不对称二嵌段共聚物共混物中的SC形成。对于不同嵌段的珠的体积分数相同的情况，观察到不同嵌段的珠之间的相似的局部混溶性和相似的SC含量。这些发现表明，不同嵌段的珠粒的体积分数是控制不对称二嵌段共聚物中SC形成的关键因素。可以通过调节不对称二嵌段共聚物中不同嵌段的珠含量之间的差异来调节SC含量。