Phase Evolution Theory for Polymer Blends with Extreme Chemical Dispersity: Parameterization of DDFT Simulations and Application to Poly(propylene) Impact Copolymers

作者：Fraaije Johannes G E M^*; Nath Shyamal K; Remerie Klaas; Groenewold Jan

来源：Macromolecular Theory and Simulations, 2011, 20(2): 133-145.

DOI：10.1002/mats.201000056

• computer simulations
• impact copolymers
• morphology
• polymer blends
• polyolefines

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.

• 出版日期2011-2-10