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{"title":"The conformational statistics of amphiphilic polymers with distinct topological structures at the interface between two phases","authors":"Hui Li, Haitao Zhao, Kaiming Gao, Zijian Xue, Zhenbin Chen, Hong Liu","doi":"10.1002/pi.6703","DOIUrl":null,"url":null,"abstract":"<p>The distribution and conformational state of compatibilizer polymers at the interface between two phases are challenging to obtain in detail through experimental research due to spatial scale limitations. This paper employs dissipative particle dynamics simulation to statistically analyze the size variations of compatibilizer copolymers at the interface of a binary blend system. The study examines the impact of factors such as the chain length of blended homopolymers, the topological structure of the compatibilizer and component interactions on the size distribution of compatibilizer copolymers at the interface. The scaling exponent between the size of the compatibilizer copolymers and their chain length is determined and compared with theoretical values under melt conditions. The reasons for the variation in the scaling exponent are analyzed, providing theoretical supplementation for the distribution, size changes and compatibilization effects of compatibilizers during the blend modification process. The results reveal discrepancies between the scaling exponent of chain size and chain length at the interface and theoretical values, analyze the significant impact of compatibilizer copolymer topological structure on the scaling exponent and present the influence of the component interaction parameter <i>α</i> on the scaling exponent's variation pattern. The simulation outcomes offer theoretical support for the design and selection of compatibilizers in a blend system. © 2024 Society of Chemical Industry.</p>","PeriodicalId":20404,"journal":{"name":"Polymer International","volume":"74 2","pages":"152-162"},"PeriodicalIF":2.9000,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Polymer International","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/pi.6703","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"POLYMER SCIENCE","Score":null,"Total":0}
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Abstract
The distribution and conformational state of compatibilizer polymers at the interface between two phases are challenging to obtain in detail through experimental research due to spatial scale limitations. This paper employs dissipative particle dynamics simulation to statistically analyze the size variations of compatibilizer copolymers at the interface of a binary blend system. The study examines the impact of factors such as the chain length of blended homopolymers, the topological structure of the compatibilizer and component interactions on the size distribution of compatibilizer copolymers at the interface. The scaling exponent between the size of the compatibilizer copolymers and their chain length is determined and compared with theoretical values under melt conditions. The reasons for the variation in the scaling exponent are analyzed, providing theoretical supplementation for the distribution, size changes and compatibilization effects of compatibilizers during the blend modification process. The results reveal discrepancies between the scaling exponent of chain size and chain length at the interface and theoretical values, analyze the significant impact of compatibilizer copolymer topological structure on the scaling exponent and present the influence of the component interaction parameter α on the scaling exponent's variation pattern. The simulation outcomes offer theoretical support for the design and selection of compatibilizers in a blend system. © 2024 Society of Chemical Industry.
两相界面上具有不同拓扑结构的两亲性聚合物的构象统计
由于空间尺度的限制,增容剂聚合物在两相界面处的分布和构象状态很难通过实验研究得到。本文采用耗散粒子动力学模拟方法,统计分析了相容剂共聚物在二元共混体系界面处的尺寸变化。本研究考察了共混均聚物的链长、相容剂的拓扑结构和组分间的相互作用等因素对界面处相容剂共聚物尺寸分布的影响。确定了相容剂共聚物的尺寸与其链长之间的标度指数,并与熔体条件下的理论值进行了比较。分析了结垢指数变化的原因,为共混改性过程中增容剂的分布、粒径变化及增容效果提供了理论补充。结果揭示了界面链尺寸和链长的标度指数与理论值的差异,分析了相容剂共聚物拓扑结构对标度指数的显著影响,并给出了组分相互作用参数α对标度指数变化规律的影响。仿真结果为共混体系相容剂的设计和选择提供了理论依据。©2024化学工业学会。
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