利用耗散粒子動力學模擬帶電荷三嵌段共聚物於水溶液中之自組裝行為

Dissipative Particle Dynamics Simulation of Self-Assembly Behaviors of Charged-Neutral Triblock Copolymer in Aqueous Solution

紀皓暐(Hao-Wei Chi)

指導教授 ： 張榮語

國立清華大學/工學院/化學工程學系/碩士(2013年)

https://doi.org/10.6843/NTHU.2013.00348

摘要

帶電嵌段共聚物之應用層面非常廣泛，但在目前的文獻當中對於其奈米微結構仍非全然了解。因此本論文利用耗散粒子動力學模擬方法，來研究中性三嵌段共聚物與帶電三嵌段共聚物於水溶液中之自組裝行為，並探討在該系統下靜電作用力對於形態變化所造成的影響。同時藉由改變三嵌段共聚物之嵌段比例以及水溶液中之共聚物濃度，來觀察其形態變化。
研究結果顯示，藉由調整嵌段比例以及共聚物濃度，能夠有效地控制其形態變化，有微胞、層板、柱狀、網狀等基本結構，而且在帶電系統中之共聚物確實能夠利用靜電作用力來誘導其形態轉變。不過在低濃度下之中性嵌段共聚物與帶電嵌段共聚物系統，一律都是以微胞結構呈現，但由於受靜電作用之影響，其微胞之聚集方式與大小會有所不同，因此可利用此方法來製備出尺寸更小之奈米微胞，藉以應用於藥物釋放、仿生材料等相關領域。

關鍵字

耗散粒子動力學 ； 帶電嵌段共聚物 ； 靜電作用 ； 形態變化

並列摘要

The application of the charged-neutral triblock copolymer is extremely wide, but in the present reference for its nanostructure which is still not entirely understood. Therefore, we used dissipative particle dynamics simulation method to investigate the self-assembly behaviors of the neutral triblock copolymer as well as the charged-neutral triblock copolymer in aqueous solution, and discuss the effect of morphological changes by electrostatic interaction. And we also observed the morphologies by changing the composition of the triblock copolymer and the concentration of the copolymer in aqueous solution.
The results show that by changing the composition of the copolymer and the concentration of the copolymer which can be effectively control the morphologies, such as micelle, lamellae, cylinder, net and so on. Indeed, we could make use of the electrostatic interaction to induce the morphological changes in the charged system. However, there are all micelle structures which at low concentrations in the neutral block copolymer system and charged block copolymer system. But due to the effect of electrostatic interaction, the size and the aggregation of micelle are different. Therefore, this method can be used to prepare a smaller size of the polymeric micelles, to be applied to drug delivery, biomimetic materials and other related fields.

並列關鍵字

Dissipative Particle Dynamics ； Charged-Neutral Block Copolymer ； Electrostatic Interaction ； Morphological Change

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