耗散粒子動力學模擬具有剛性鏈段之三嵌段共聚物與線性高分子共混系統之相態衍變

Morphological Transition of Coil-Rod-Coil Triblock Copolymer Blend with Homopolymer via Dissipative Particle Dynamics Simulation

吳穎婷(Ying-Ting Wu)

指導教授 ： 張 榮 語

國立清華大學/工學院/化學工程學系/碩士(2011年)

摘要

本研究利用耗散粒子動力學探討Am-block-Bn-block-Am 此線圈-棒狀-線圈三嵌段共聚物和線性高分子共混下的平衡相態，藉由改變剛性鏈段在三嵌段共聚物上的鏈段比、線性高分子添加的比例來觀察對系統結構的影響；利用剖面結構圖討論其特徵結構的衍變，並且從統計性質如徑向分布函數、迴旋半徑、末端-末端距離等來比較在各種變因下所造成的結果。
驗證文獻過程中發現加入鍵角力不僅控制鏈段間的夾角增加硬度之外，對其相態變化也具有一定的影響力；當模擬系統剛性鏈段比例高時較易形成完美層板結構可當作模板幫助其它材料進行有序排列，當剛性鏈段比例降低時，其平衡相態開始變的豐富，如T字型、啞鈴型等特殊結構，在奈米元件上具有研究價值。另外出現穿孔層板結構，對應到真實材料，相信在氣體分離的薄膜製程上有其應用層面

關鍵字

耗散粒子動力學 ； 高分子共混 ； 鍵角力 ； 線圈-棒狀-線圈三嵌段共聚物

並列摘要

Dissipative particle dynamics simulation was performed on rich equilibrium phase structure by blending coil-rod-coil triblock copolymers and homopolymers, in which the influence of blending ratio as well as the chain length of rod block of coil-rod-coil triblock copolymers were studied systematically. We also investigated some statistic properties (e.g., End- to- End Distance, Radius of Gyration).
The results show that bond bending force is not only a promising strategy to control the angle between the bonds, but also made a great impact on polymer morphology. When the rod volume fraction is large, the perfect lamellar structure is formed, which is increasingly used as templating materials. Furthermore, we also found remarkable self-assembled behavior such as dumbbell-like, T-like, perforated lamellar structures when the rod volume fraction is low. The ability to control the formation of specific patterns and structures is of growing interest and applicability. Finally, we believe that the rod volume fraction of coil-rod-coil triblock copolymer had a great effect on orderly structure of the self-assembly process of blending.

並列關鍵字

Dissipative Particle Dynamics Simulation ； Polymer Blend ； Bond Bending ； Coil-Rod-Coil Triblock Copolymer

參考文獻

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