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String model for the dynamics of glass-forming liquids
Author(s) -
Beatriz A. Pazmiño Betancourt,
Jack F. Douglas,
Francis W. Starr
Publication year - 2014
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4878502
Subject(s) - residual entropy , configuration entropy , statistical physics , thermodynamics , arrhenius equation , isothermal process , entropy (arrow of time) , physics , residual , string (physics) , theoretical physics , mathematics , kinetics , classical mechanics , algorithm
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."

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