| Literature DB >> 24880303 |
Beatriz A Pazmiño Betancourt1, Jack F Douglas2, Francis W Starr1.
Abstract
We test the applicability of a living polymerization theory to describe cooperative string-like particle rearrangement clusters (strings) observed in simulations of a coarse-grained polymer melt. The theory quantitatively describes the interrelation between the average string length L, configurational entropy Sconf, and the order parameter for string assembly Φ without free parameters. Combining this theory with the Adam-Gibbs model allows us to predict the relaxation time τ in a lower temperature T range than accessible by current simulations. In particular, the combined theories suggest a return to Arrhenius behavior near Tg and a low T residual entropy, thus avoiding a Kauzmann "entropy crisis."Entities:
Year: 2014 PMID: 24880303 PMCID: PMC5848698 DOI: 10.1063/1.4878502
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488