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Condensed Matter > Soft Condensed Matter
Title: Numerical Study of Cleavable Bond-Modified Polyethylene for Circular Polymer Design
(Submitted on 14 Apr 2024 (v1), last revised 17 Apr 2024 (this version, v2))
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.
Submission history
From: Maria Ley Flores [view email][v1] Sun, 14 Apr 2024 19:50:09 GMT (9695kb,D)
[v2] Wed, 17 Apr 2024 01:48:26 GMT (9718kb,D)
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