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Monte Carlo simulations of the polymer glass transition

 

作者: W. Paul,  

 

期刊: AIP Conference Proceedings  (AIP Available online 1992)
卷期: Volume 256, issue 1  

页码: 145-154

 

ISSN:0094-243X

 

年代: 1992

 

DOI:10.1063/1.42454

 

出版商: AIP

 

数据来源: AIP

 

摘要:

Simulations of glass transitions need to cope with exploding relaxation times especially in polymer systems which have ana priorislow dynamics. The longer the times your simulation method can explore, the closer you can approach the glass transition temperature. Therefore, we propose the Monte Carlo study of a polymer lattice model, namely the bondfluctuation model. The infinite temperature properties of this model have been extensively studied. Adding potentials that favor long bonds and/or increase the stiffness of the chains introduces a glass transition into the model. Using a mapping to Bisphenol‐A‐Polycarbonate we reproduce the Vogel‐Fulcher parameters experimentally found for the viscosity of BPA‐PC. The microscopic structural relaxation is analyzed according to mode–coupling predictions and is well comparable to experimental results found on Polybutadiene.

 

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