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Phase Evolution Theory for Polymer Blends with Extreme Chemical Dispersity: Parameterization of DDFT Simulations and Application to Poly(propylene) Impact Copolymers
Author(s) -
Fraaije Johannes G. E. M.,
Nath Shyamal K.,
Remerie Klaas,
Groenewold Jan
Publication year - 2011
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.201000056
Subject(s) - copolymer , dispersity , materials science , polymer , phase (matter) , polymer blend , chemical engineering , polymer chemistry , chemistry , composite material , organic chemistry , engineering
DDFT is applied to phase formation in homopolymer/copolymer blends in which the copolymer is extremely disperse with a uniform chemical composition distribution. Such systems develop a core/shell structure with a thick interface. This study is motivated by peculiarities in the phase evolution of industrial PP high‐impact copolymers. It is demonstrated that it is possible to reach time and length scales of relevance for realistic industrial blend systems. A rational method for improving the numerical efficiency of the calculations is presented. The model can be applied to a variety of industrially relevant systems with similar “random chemistry” or extreme copolymer dispersity in coatings, crude oil recovery systems, food emulsions, and so forth.