塊狀共聚合物在兩個溶劑效應下之結構衍變及層狀結構尺寸分析

Abstract

本研究是運用自洽平均場理論(Self-Consistent Mean-Field Theory, SCMFT)計算法來探討兩溶劑添加對A/B塊狀共聚物微結構及層狀結構的尺寸如何受到溶劑的比例與溶劑的不互容性之影響。我們將塊狀共聚合物加入一中性溶劑和一選擇性的溶劑所組成的系統。改變溶劑間不互容性，我們可以觀察到高分子微結構衍變為各種型態，包含了層狀結構、柱狀六方堆積及球狀體心立方堆積。然而當溶劑間不互容性強，在低共聚合物體積分率的條件下，原本為無序結構的區域，將會有相分離現象及有序結構的產生，包含了層狀結構、柱狀六方堆積及球狀體心立方堆積。在此部分我們運用分散粒子動力計算法來加以驗證。在層狀結構尺寸分析方面，我們發現在溶劑間不互容性較弱時，尺寸是隨著共聚合物體積分率的遞減而減短。然而在溶劑間不互容性較強時，尺寸一樣是隨著共聚合物體積分率的遞減而減短。但是在靠近兩相分離區時，反而呈現增長的趨勢。

We employ both self-consistent mean-field (SCMF) theory and dissipative particle dynamics (DPD) to study the phase behavior and analyze the microstructural size for a block copolymer in the presence of two solvents. In particular, the effects and the ratio between these two solvents, and copolymer volume fraction are examined. We observe that with increasing the incompatibility between the solvents, various ordered microstructures and/or two macrophase separations are expected. In further, the microstrutural size increases significantly when the systems approach the 2-phase region.