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

J.G.E.M. Fraaije; S.K. Nath; K. Remerie; J. Groenewold

doi:10.1002/mats.201000056

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

J.G.E.M. Fraaije^*, S.K. Nath, K. Remerie, J. Groenewold

^*Corresponding author for this work

extern

Research output: Contribution to journal › Article › Academic › peer-review

Abstract

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.

Original language	English
Pages (from-to)	133-145
Number of pages	12
Journal	Macromolecular Theory and Simulations
Volume	20
Issue number	2
DOIs	https://doi.org/10.1002/mats.201000056
Publication status	Published - 10 Feb 2011

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

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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. / Fraaije, J.G.E.M.; Nath, S.K.; Remerie, K. et al.
In: Macromolecular Theory and Simulations, Vol. 20, No. 2, 10.02.2011, p. 133-145.

Research output: Contribution to journal › Article › Academic › peer-review

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T1 - Phase Evolution Theory for Polymer Blends with Extreme Chemical Dispersity: Parameterization of DDFT Simulations and Application to Poly(propylene) Impact Copolymers

AU - Fraaije, J.G.E.M.

AU - Nath, S.K.

AU - Remerie, K.

AU - Groenewold, J.

PY - 2011/2/10

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N2 - 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.

AB - 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.

U2 - 10.1002/mats.201000056

DO - 10.1002/mats.201000056

M3 - Article

SN - 1022-1344

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JO - Macromolecular Theory and Simulations

JF - Macromolecular Theory and Simulations

IS - 2

ER -

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

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