Understanding the shape-memory mechanism of thermoplastic polyurethane by investigating the phase-separated morphology: A dissipative particle dynamics study

Autor: Sungwoo Park, Jeong-ha Lee, Maenghyo Cho, Yun Seog Lee, Hayoung Chung, Seunghwa Yang
Jazyk: angličtina
Rok vydání: 2024
Předmět:
Zdroj: Polymer Testing, Vol 137, Iss , Pp 108531- (2024)
Druh dokumentu: article
ISSN: 1873-2348
DOI: 10.1016/j.polymertesting.2024.108531
Popis: Shape-memory polyurethanes (SMPUs) are promising materials that change shape in response to external heat. These polymers have a dual-segment structure: a hard segment for netpoint and a soft segment for molecular switch. Understanding the molecular behavior of each segment and microphase-separated morphology is crucial for comprehending the shape-memory mechanism. This study aimed to understand the shape-memory behavior by observing the phase separation of SMPU using mesoscale models based on dissipative particle dynamics (DPD) simulations. The SMPU copolymer was modeled using 4,4′-diphenylmethane diisocyanate (MDI, hard segment) and poly(ethylene oxide) (PEO, soft segment). By calculating segment solubility and repulsion parameters, we found that the hard-segment domain changes from isolated form to a lamellar and interconnected structure and eventually to a continuous form as its content increases. Combining these insights with shape-memory performance models can enhance our understanding of better SMPU design and contribute significantly to the optimization of smart stimuli-responsive materials.
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