Simultaneous Bulk-and Surface-initiated Living Polymerization Studied with a Heterogeneous Stochastic Reaction Model  

作　　者：Jia-Shu Ma Zhi-Ning Huang Jia-Hao Li Bang-Ping Jiang Yan-Da Liao Shi-Chen Ji Xing-Can Shen 

机构地区：[1]State Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources,Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources(Ministry of Education of China),School of Chemistry and Pharmaceutical Sciences,Guangxi Normal University,Guilin 541004,China [2]School of Computer Science and Engineering&School of Software,Guangxi Normal University,Guilin 541004,China

出　　处：《Chinese Journal of Polymer Science》2024年第3期364-372,I0008,共10页高分子科学（英文版）

基　　金：financially supported by the National Natural Science Foundation of China (No.22263002);the “Overseas 100 Talents Program” of Guangxi Higher Education。

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.

关 键 词：Surface-initiated polymerization Polymer brush Stochastic reaction model Heterogeneous polymerization Simultaneous polymerization 

分 类 号：TQ316.3[化学工程—高聚物工业]