期刊
MACROMOLECULAR THEORY AND SIMULATIONS
卷 20, 期 8, 页码 769-779出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/mats.201100047
关键词
composites; copolymer/colloid hybrid materials; diblock copolymers; cell dynamics simulation; simulations
资金
- EU [EP/H006583/1]
- MICINN [FIS2008-04386]
- DURSI [2009 SGR-634]
- EPSRC [EP/H006583/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/H006583/1] Funding Source: researchfish
The interaction between a diblock copolymer and nanoscopic particles can lead to highly organized hybrid materials. The morphology of such hybrid materials depends on the polymer compositions as well on the shapes, sizes, and surface treatment of the particles. A hybrid mesoscopic approach to study the dynamics of nanocomposites composed from a block copolymer melt and a suspension of colloids is proposed. A collective description of the polymer dynamics is combined with the individual resolution of the colloids. The implementation of the method in two and three dimensions is described and the method is tested for different particle sizes, diblock copolymer compositions and polymer/colloid interactions.
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