Stereocomplex Crystallization in Asymmetric Diblock Copolymers Studied by Dynamic Monte Carlo Simulations
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ARTICLE
POLYMER SCIENCE
https://doi.org/10.1007/s10118-021-2512-4 Chinese J. Polym. Sci.
Stereocomplex Crystallization in Asymmetric Diblock Copolymers Studied by Dynamic Monte Carlo Simulations Ying Xua, Jun Yanga, Zong-Fa Liua, Zhi-Ping Zhoua, Zhao-Peng Lianga, Tong-Fan Haob, and Yi-Jing Niea* a Research School of Polymeric Materials, School of Materials Science and Engineering, Jiangsu University, Zhenjiang 212013, China b Institute of Green Chemistry and Chemical Technology, Jiangsu University, Zhenjiang 212013, China
Abstract 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. Keywords Asymmetric diblock copolymers; Monte Carlo simulations; Stereocomplex crystallization Citation: Xu, Y.; Yang, J.; Liu, Z. F.; Zhou, Z. P.; Liang, Z. P.; Hao, T. F.; Nie, Y. J. Stereocomplex crystallization in asymmetric diblock copolymers studied by dynamic Monte Carlo simulations. Chinese J. Polym. Sci. https://doi.org/10.1007/s10118-021-2512-4
INTRODUCTION The development of degradable plastics based on renewable resources is a hot topic in the field of polymer materials and engineering.[1−5] On the one hand, the application of these degradable polymeric products is conducive to environmental protection, since the “white pollution” caused by non-degradable plastics can be avoided. On the other hand, using polymeric materials generated from renewable resources can reduce the dependence of industry on petroleum, and this is especially important for countries lacking natural resources. Among these degradable plastics based on renewable resources, poly(lactic acid) (PLA) is one of the most concerned materials,[3−7] and it has been used to manufacture a number of products, such as surgical sutures, membranes and fibers. However, it should be noted that PLA still cannot totally replace the conventional plastics, owing to its relatively weak mechanical properties and low melting point.[8−10] Ikada et al. first observed that stereocomplex crystallites (SCs) can form between poly(L-lactic acid) (PLLA) and poly(D-lact
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