Field-theoretic computer simulation methods for polymers and complex fluids

被引:631
作者
Fredrickson, GH [1 ]
Ganesan, V
Drolet, F
机构
[1] Univ Calif Santa Barbara, Mitsubishi Chem Ctr Adv Mat, Santa Barbara, CA 93106 USA
[2] Univ Calif Santa Barbara, Dept Chem Engn & Mat, Santa Barbara, CA 93106 USA
[3] Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA
[4] Hyperdigm Res, St Lambert, PQ J4S 1C8, Canada
关键词
D O I
10.1021/ma011515t
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
We review a class of new computer simulation methods for polymeric fluids and other soft condensed matter systems that are based on an underlying field-theoretic description. These methods, while still in an early stage of development, show considerable promise for studying the equilibrium properties of many-component systems capable of intricate self-assembly, such as solutions and blends containing block and graft copolymers. Field-theoretic simulation methods also provide a great deal of flexibility in model building and coarse graining, and appear to be particularly well suited to treat systems with soft, long-range interactions, such as polyelectrolytes. We attempt to connect various related theoretical approaches, such as self-consistent field theory and dynamic density functional theory, within a common framework.
引用
收藏
页码:16 / 39
页数:24
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