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Numerical Study of Cleavable Bond-Modified Polyethylene for Circular Polymer Design

2024/04/14 by Maria Ley-Flores, Archit Chabbi, Ley-Flores, Maria +11
Chemistry · Materials Science · #Advanced Polymer Synthesis and Characterization #FOS: Physical sciences #Polymer crystallization and properties #Soft Condensed Matter (cond-mat.soft) #biodegradable polymer synthesis and properties

paper · pdf · doi:10.48550/arxiv.2404.09341

openalex publication_date 2024/04/14 · openalex created_date 2024/04/17 · openalex updated_date 2026/08/01

Abstract

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.

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