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Description of the Structure and Properties of Atactic Polystyrene Melt Using Integral Equation Theory

✍ Scribed by Lei ZHAO; Yi-Gui LI; Chong-Li ZHONG

Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
181 KB
Volume
25
Category
Article
ISSN
0256-7660

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✦ Synopsis

Abstract

The polymer reference interaction site model (PRISM) integral equation theory was used to describe the structure and thermodynamic properties of atactic polystyrene (aPS) melt, in which the monomer of aPS is represented with an eight‐site model to characterize its microstructure. The intramolecular structure factors needed in the PRISM calculations were obtained from single chain MD simulations. The calculated results indicate that the results by the integral equation method agrees well with experiments, and can reflect the fine microscopic structure of real aPS melt. This work shows that the PRISM theory is a powerful tool for investigating the structure and properties of complex polymers.

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