Density Functional Theory for Block Copolymer Melts and Blends
Density Functional Theory for Block Copolymer Melts and Blends
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DOI：
10.1021/ma049385m
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发表时间：
2004-10
期刊：
影响因子：
5.5
通讯作者：
Takashi Uneyama;M. Doi
中科院分区：
文献类型：
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作者：
Takashi Uneyama;M. Doi
我们推导出嵌段共聚物的共混物的自由能的表达式，表示为每个嵌段的单体的密度分布的函数。该表达式是Flory-Huggins-deGennes理论对均聚物共混物的推广，也是Ohta-川崎理论对二嵌段共聚物熔体的推广。该表达式可用于任何拓扑结构的均聚物和嵌段共聚物的任何共混物。该表达式为均聚物和嵌段共聚物共混物的微观和宏观相分离的计算提供了一种快速、稳定的计算方法。
We derive an expression for the free energy of the blends of block copolymers expressed as a functional of the density distribution of the monomer of each block. The expression is a generalization of the Flory−Huggins−de Gennes theory for homopolymer blends and also a generalization of the Ohta−Kawasaki theory for the melts of diblock copolymers. The expression can be used for any blends of homopolymers and block copolymers of any topological structure. The expression gives a fast and stable computational method to calculate the micro- and macro-phase separation of the blends of homopolymers and block copolymers.