This is an archive of papers published by the staff and faculty of Fox Chase Cancer Center. For questions about content, please contact Talbot Research Library
Last updated on
Hall KW , Percec S , Klein ML
Polymer nucleation under high-driving force, long-chain conditions: Heat release and the separation of time scales
J Chem Phys. 2019 Mar 21;150(11) :114901
PMID: 30902014 URL: https://www.ncbi.nlm.nih.gov/pubmed/30902014
AbstractThis study reveals important features of polymer crystal formation at high-driving forces in entangled polymer melts based on simulations of polyethylene. First and in contrast to small-molecule crystallization, the heat released during polymer crystallization does not appreciably influence structural details of early-stage, crystalline clusters (crystal nuclei). Second, early-stage polymer crystallization (crystal nucleation) can occur without substantial chain-level relaxation and conformational changes. This study's results indicate that local structures and environments guide crystal nucleation in entangled polymer melts under high-driving force conditions. Given that such conditions are often used to process polyethylene, local structures and the separation of time scales associated with crystallization and chain-level processes are anticipated to be of substantial importance to processing strategies. This study highlights new research directions for understanding polymer crystallization.
Notes1089-7690 Hall, Kyle Wm Orcid: 0000000316117812 Percec, Simona Klein, Michael L Journal Article United States J Chem Phys. 2019 Mar 21;150(11):114901. doi: 10.1063/1.5084773.