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Morphology and Conformation Analysis of Self‐Assembled Triblock Copolymer Melts
Author(s) -
AbuSharkh Basel,
AlSunaidi Abdullah
Publication year - 2006
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.200600014
Subject(s) - mesophase , dissipative particle dynamics , lamellar structure , copolymer , gyroid , materials science , volume fraction , phase diagram , micelle , lamellar phase , phase (matter) , hexagonal phase , crystallography , polymer chemistry , hexagonal crystal system , liquid crystal , composite material , chemistry , polymer , organic chemistry , optoelectronics , aqueous solution
Summary: We used the dissipative particle dynamics method to simulate the self‐assembly of symmetric triblock copolymers of the type ABA. Depending on the volume fraction of the end blocks f A , several mesophases including lamellar, perforated lamellar, gyroid, hexagonal cylinders and bcc spherical micelles were obtained. The order‐disorder transition (ODT) at f A = 0.5 was found to be about χ N = 19.8. The ODT for the cylindrical mesophase at symmetrical points on the phase diagram had different values, indicating asymmetry in the phase diagram. We were also able to estimate the bridge fraction in the different mesophases. They range from about 0.44 for the lamellar mesophase to about 0.75 for the spherical micelles. Our simulation results are in good agreement with previously reported theoretical calculations and experimental observations.The hexagonal cylinders generated with the A 6 B 4 A 6 copolymer.