MONTE-CARLO METHODS FOR POLYMER-CHAINS IN 2-DIMENSIONAL GEOMETRIES (POLYMERS AT SURFACES AND INTERFACES)

被引:2
作者
BINDER, K
机构
来源
MAKROMOLEKULARE CHEMIE-MACROMOLECULAR SYMPOSIA | 1993年 / 65卷
关键词
D O I
10.1002/masy.19930650120
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
Coarse-grained models of polymers at interfaces can be defined such that their treatment by Monte Carlo simulation is most convenient and efficient for the problem at hand. This simulation strategy is briefly illustrated with three examples: (1) The orientational ordering of rigid rod-like polymers grafted to a surface, where ''table methods'' can be used, applying a fine discretization of the angles describing rod orientation. (2) Surface enrichment of one species in a polymer blend is treated by a semi-grand-canonical technique. (3) The number of configurations and structure of a star polymer attached with its center to a wall is studied by a ''growth technique'' generalizing simple sampling methods.
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页码:175 / 187
页数:13
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