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Dynamic Density Functional Theory for Sheared Polymeric Systems
Author(s) -
Zvelindovsky A. V.,
Sevink G. J. A.,
Lyakhova K. S.,
Altevogt P.
Publication year - 2004
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.200300006
Subject(s) - shearing (physics) , metastability , polymer , materials science , morphology (biology) , chemical physics , copolymer , density functional theory , physics , composite material , chemistry , computational chemistry , quantum mechanics , biology , genetics
Abstract Summary: Details of the dynamic density functional theory for sheared polymer systems are presented. The method is illustrated on polymer blends with and without compatibilizers. Shearing slows down coarsening of structures at later stages of phase separation, trapping the system in kineticly driven metastable states. Under certain conditions the system is found trapped in a metastable multiple sphere morphology, while under other conditions a sphere‐to‐string transition is observed. The results are sensitive to the (block co)polymer architecture.The morphology of a symmetric polymer blend in a 32 × 32 box.