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String model for the dynamics of glass-forming liquids
String model for the dynamics of glass-forming liquids
- 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