Monte Carlo simulation of micelle formation in block copolymer solutions

被引:0
作者
Viduna, D
Milchev, A
Binder, K
机构
[1] Charles Univ, Dept Phys & Macromol Chem, Prague 12843 2, Czech Republic
[2] Bulgarian Acad Sci, Inst Phys Chem, BU-1113 Sofia, Bulgaria
[3] Univ Mainz, Inst Phys, D-55099 Mainz, Germany
关键词
D O I
10.1002/(SICI)1521-3919(19981101)7:6<649::AID-MATS649>3.3.CO;2-A
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
Short block copolymers in selective solvents (bad for A-block, good for B-block) are modeled by flexible bead-spring chains, where beads interact with short range Morse potentials of variable strength. It is shown that already very shea chains (N-A = N-B = 2) exhibit a rather well-defined critical micelle concentration (cmc). The mass distribution of the micelles and their gyration tensor components as well as their internal structure are studied. It is shown that the relaxation time increases exponentially with the strength EAA Of the attractive energy between the A-monomers, and thus frozen-in micelles of medium size are obtained when E-AA is chosen too large. Our results are compared to studies of related but somewhat different models.
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页码:649 / 658
页数:10
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