以分散粒子動力學法模擬雙性團聯共聚物微胞之探討

Micellization of amphiphilic diblock copolymer : DPD study

蔣嘉豐(Chia-Feng Chiang)

指導教授 ： 曹恒光

國立中央大學/工學院/化學工程與材料工程學系/碩士(2006年)

摘要

本論文主要的目的是以一種介觀尺度下的模擬方法-分散粒子動力學(Dissipative Particle Dynamics)來探討雙性團聯共聚物(amphiphilic diblock copolymer)在溶液中在固定疏溶劑(solvophobic)鏈段增加親溶劑(solvophilic)鏈段和情況下，對於形成雙性團聯共聚物微胞的聚集數(aggregation number)和疏劑鏈段核半徑(radius of solvophobic core)有何影響!
進而更加探討親溶劑鏈段與疏溶劑鏈段兩物種之間的斥力上升對我們系統內所形成聚集數和疏液核的半徑造成的影響為何。在以往的實驗上的數據都是藉由動態光散射光譜儀 (Dynamics Light Scattering, DLS)或是靜態光散射光譜儀（static light scattering, SLS）和X光小角度散射 (small angle X-ray scattering, SAXS)等儀器來求得平均的粒徑和分子量，藉由這種介觀模擬方法可以直接觀察到雙性團聯共聚物在液相中分佈的情況！

關鍵字

微胞 ； 團聯共聚物 ； 模擬

並列摘要

In this study we use a whole new mesoscale simulation method “DPD (Dissipative Particle Dynamics) ” to research the amiphilic diblock copolymer micelle in dilute solution. First we keep solvophobic beads with increasing solvophilic beads to discuss aggregation number、micelle core radius and mean average radius of gyration.
And second we increase repulsive parameter to discuss aggregation number、micelle core radius and mean average radius of gyration. In previous study it depends on experimental datum with DLS(Dynamics Light Scattering)、SLS(Static light Scattering) and SAXS(small angle X-ray scattering) instrument. So in the study we provide a new idea to simulate the phenomenon. And we find the power law relation to aggregation number in increasing solvophilic beads.

並列關鍵字

DPD ； diblock copolymer ； micelle

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