Simulation of Polymer Crystallization through a Dynamic Monte Carlo Lattice Model

A simulation approach to polymer crystallization is presented. The molecules approach crystallization through a compact globule state. The simulation shows that individual molecules acquire a lamellar conformation, even before interacting to form a crystal. The lamellar thickness is considerably sma...

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Bibliographic Details
Published in:Macromolecules 1998-04, Vol.31 (7), p.2328-2334
Main Authors: Toma, Lucio, Toma, Salvatore, Subirana, Juan A
Format: Article
Language:English
Subjects:
Applied sciences
Crystallization
Exact sciences and technology
Organic polymers
Physicochemistry of polymers
Properties and characterization
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Summary:A simulation approach to polymer crystallization is presented. The molecules approach crystallization through a compact globule state. The simulation shows that individual molecules acquire a lamellar conformation, even before interacting to form a crystal. The lamellar thickness is considerably smaller than in the most stable state, in agreement with the experimental observations. The lamellar thickness is observed to decrease as a function of the temperature of simulation, also in agreement with the experimental observations.
ISSN:0024-9297
1520-5835
DOI:10.1021/ma971232u