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Monte Carlo Study of Heteroarm Star Copolymers in Good and Selective Solvents
Author(s) -
Havránková Jitka,
Limpouchová Zuzana,
Procházka Karel
Publication year - 2003
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.200350012
Subject(s) - copolymer , monte carlo method , star (game theory) , solvent , stars , block (permutation group theory) , lattice (music) , materials science , chemistry , physics , crystallography , combinatorics , astrophysics , organic chemistry , mathematics , polymer , statistics , acoustics
Abstract Lattice Monte Carlo simulations of conformations of hereroarm star copolymers A n B n in selective solvents were performed using a special variant of the Siepman and Frenkel algorithm. The effects of solvent quality, the number and lengths of blocks on the collapse of the insoluble block A, segregation of the two types of blocks and the behavior of the soluble blocks B were studied mainly for “hairy” stars containing high numbers of long arms. The simulation shows that insoluble blocks collapse in strongly selective solvents and the gravity centers of soluble and insoluble blocks separate which suggests the possibility of the formation of non‐spherical structures.Snapshots of star a in a very bad solvent ( T = 3.00) for blocks A. There are two different views of the star with a total number of arms f = 16 and number of segments N = 300.