Premium
Monte Carlo methods for polymer chains in two ‐ dimensional geometries (polymers at surfaces and interfaces)
Author(s) -
Binder Kurt
Publication year - 1993
Publication title -
makromolekulare chemie. macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 0258-0322
DOI - 10.1002/masy.19930650120
Subject(s) - monte carlo method , polymer , surface (topology) , discretization , star polymer , statistical physics , orientation (vector space) , materials science , sampling (signal processing) , geometry , physics , mathematics , optics , composite material , mathematical analysis , copolymer , statistics , detector
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.