Mimicking Polymer Processing Conditions on the Meso-Scale: Relaxation and Crystallization in Polyethylene Systems after Uni- and Biaxial Stretching

Autor: Dirk Grommes, Olaf Bruch, Dirk Reith
Jazyk: angličtina
Rok vydání: 2024
Předmět:
Zdroj: Molecules, Vol 29, Iss 14, p 3391 (2024)
Druh dokumentu: article
ISSN: 1420-3049
DOI: 10.3390/molecules29143391
Popis: Highly varying process conditions drive polymers into nonequilibrium molecular conformations. This has direct implications for the resulting structural and mechanical properties. This study rigorously investigated processing-property relations from a microscopic perspective. The corresponding models use a mesoscale molecular dynamics (MD) approach. Different loading conditions, including uniaxial and biaxial stretching, along with various cooling conditions, were employed to mimic process conditions on the micro-scale. The resulting intricate interplay between equi-biaxial stretching, orientation, and crystallization behavior in long polyethylene chains was reviewed. The study reveals notable effects depending on different cooling and biaxial stretching procedures. The findings emphasize the significance of considering distributions and directions of chain ordering. Local inspections of trajectories unveil that crystal growth predominantly occurs in regions devoid of entanglements.
Databáze: Directory of Open Access Journals
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