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以耗散粒子動力學模擬雙成分奈米顆粒與雙嵌段高分子複合材料於剪切流場下之形態轉換研究
Thesis

以耗散粒子動力學模擬雙成分奈米顆粒與雙嵌段高分子複合材料於剪切流場下之形態轉換研究

李孟竹
Masters, National Tsing Hua University
2014

Abstract

耗散粒子動力學高分子奈米複合材料自組裝行為剪切流場形態結構
In this thesis, the impact of the binary nanoparticle volume fraction and shear-induced diffusion on the morphology transition of binary nanoparticles within symmetric diblock copolymers composite is investigated via the experiments done by dissipative particle dynamics simulation. The morphology of two different size of A-affinity nanoparticle is also analyzed under various condition combinations of the nanoparticle volume fraction and shear rate of those simulation systems.The results show that the self-assembly of nanoparticle mixtures in polymer matrix is a cooperative assembly that is affected by various factors. The tensile properties of diblock copolymer increase with increasing shear rate activating the morphology transition. On the contrary, the tensile properties of diblock copolymer are not related to the nanoparticle volume fraction, but nanoparticle aggregation. It shows that with increasing nanoparticle volume fraction aggregation increases. These results suggest that both volume fraction and aggregation effect translational entropy which contributes to the morphology transition.As the size of A-affinity nanoparticle increasing, the larger particles concentrate in the center of the domain which makes the end-to-end distance of A chain segment decrease with net structure. On the other hand, a phase transition from the lamellar to perforated layer (PLs) phase can be obtained by increasing nanoparticle volume fraction .

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