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String model for the dynamics of glass-forming liquids

String model for the dynamics of glass-forming liquids

Authors :
Beatriz A. Pazmiño Betancourt
Jack F. Douglas
Francis W. Starr
Source :
The Journal of Chemical Physics. 140:204509
Publication Year :
2014
Publisher :
AIP Publishing, 2014.

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.”

Details

ISSN :
10897690 and 00219606
Volume :
140
Database :
OpenAIRE
Journal :
The Journal of Chemical Physics
Accession number :
edsair.doi.dedup.....2d9757edbb5c534504723cac4e1241b1
Full Text :
https://doi.org/10.1063/1.4878502