Coarse-graining polymers as soft colloids

被引:30
作者
Louis, AA
Bolhuis, PG
Finken, R
Krakoviack, V
Meijer, EJ
Hansen, JP
机构
[1] Univ Cambridge, Dept Chem, Chem Labs, Cambridge CB2 1EW, England
[2] Univ Amsterdam, Dept Chem Engn, NL-1018 WV Amsterdam, Netherlands
关键词
polymer solutions; colloids; effective interactions;
D O I
10.1016/S0378-4371(02)00502-2
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We show how to coarse-grain polymers in a good solvent as single particles, interacting with density-independent or density-dependent interactions. These interactions can be between the centres of mass, the mid- or end-points of the polymers. We also show how to extend these methods to polymers in poor solvents and mixtures of polymers. Treating polymers as soft colloids can greatly speed up the simulation of complex many-polymer systems, including polymer-colloid mixtures. (C) 2002 Published by Elsevier Science B.V.
引用
收藏
页码:251 / 261
页数:11
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