Simultaneous Bulk-and Surface-initiated Living Polymerization Studied with a Heterogeneous Stochastic Reaction Model
作者机构：State Key Laboratory for Chemistry and Molecular Engineering of Medicinal ResourcesKey Laboratory for Chemistry and Molecular Engineering of Medicinal Resources(Ministry of Education of China)School of Chemistry and Pharmaceutical SciencesGuangxi Normal UniversityGuilin 541004China School of Computer Science and Engineering&School of SoftwareGuangxi Normal UniversityGuilin 541004China
出 版 物：《Chinese Journal of Polymer Science》 (高分子科学（英文版）)
年 卷 期：2024年第42卷第3期
页 面：364-372,I0008页
核心收录：
学科分类：08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0703[理学-化学]
基 金：financially supported by the National Natural Science Foundation of China (No.22263002) the “Overseas 100 Talents Program” of Guangxi Higher Education
主 题：Surface-initiated polymerization Polymer brush Stochastic reaction model Heterogeneous polymerization Simultaneous polymerization
摘 要：To better characterize the properties of surface-initiated polymers, simultaneous bulk-and surface-initiated polymerizations are usually carried out by assuming that the properties of the surface-initiated polymers resemble those of the bulk-initiated polymers. Through a Monte Carlo simulation using a heterogeneous stochastic reaction model, it was discovered that the bulk-initiated polymers exhibit a higher molecular weight and a lower dispersity than the corresponding surface-initiated polymers, which indicates that the equivalent assumption is invalid. Furthermore, the molecular weight distributions of the two types of polymers are also different, suggesting different polymerization mechanisms. The results can be simply explained by the heterogeneous distributions of reactants in the system. This study is helpful to better understand surface-initiated polymerization.
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