用于循环聚合物设计的可裂解键改性聚乙烯的数值研究
Numerical Study of Cleavable Bond-Modified Polyethylene for Circular Polymer Design
AI总结：
该研究针对可回收聚合物设计需求，对含10种不同可裂解键的聚乙烯基聚合物开展数值研究，分析可裂解键对多项加工关键性能及结晶过程的影响，通过与线性聚乙烯对比建立指导可持续塑料合成的平台。
摘要：
目前人们对设计具备内置回收机制的新型聚合物材料有相当大的兴趣。在本研究中，我们对几种聚乙烯基聚合物开展了系统性探究，这些聚合物经策略性引入了易发生化学降解的可裂解键。我们研究了10种不同的、分布于不同链长的遥爪官能团连接键：酯键、芳香酯键、酸酐键、碳酸酯键、氨基甲酸酯键、硅氧烷键、草酸酯键、缩醛键、脲键和酰胺键。本研究聚焦于可裂解键对密度、扩散、焓和熔融温度的影响，同时也考察了结晶过程。这些都是聚合物加工的关键性能，通过将它们与线性聚乙烯的性能进行比较，我们建立了一个平台，可助力指导未来的合成工作，以设计出性能与传统高性能聚烯烃基材料相当的可持续塑料。
英文摘要：
There is considerable interest in designing new polymeric materials with built-in mechanisms for recycling. In this work, we present a systematic exploration of several polyethylene-based polymers that contain strategically incorporated cleavable bonds that are susceptible to chemical degradation. We consider ten distinct telechelic functionalities across varying chain lengths: ester, aromatic ester, anhydride, carbonate, urethane, siloxane, oxalate, acetal, urea, and amide linkages. Our study is focused on the effects of cleavable bonds on density, diffusion, enthalpy, and melting temperatures. We also examine the crystallization process. These are key properties for polymer processing and, by comparing them to those of linear polyethylene, we establish a platform that will help guide future synthetic efforts towards the design of sustainable plastics with performance comparable to that of traditional, high-performance polyolefin-based materials.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
