Can polymer coils be modeled as "soft colloids"?

被引:369
作者
Louis, AA
Bolhuis, PG
Hansen, JP
Meijer, EJ
机构
[1] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England
[2] Univ Amsterdam, Dept Chem Engn, NL-1018 WV Amsterdam, Netherlands
关键词
D O I
10.1103/PhysRevLett.85.2522
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We map dilute or semidilute solutions of nonintersecting polymer chains onto a fluid of "soft" particles interacting via a concentration dependent effective pair potential, by inverting the pair distribution function of the centers of mass of the initial polymer chains. A similar inversion is used to derive an effective wall-polymer potential; these potentials are combined to successfully reproduce the calculated exact depletion interaction induced by nonintersecting polymers between two walls. The mapping opens up the possibility of large-scale simulations of polymer solutions in complex geometries.
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页码:2522 / 2525
页数:4
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