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Molecular dynamics simulation of polystyrene‐ block ‐poly(methyl methacrylate)
Author(s) -
Lu Zhongyuan,
Li Zesheng,
Huang Xuri,
Jiang Bingzheng,
Sun JiaZhong
Publication year - 1998
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/(sici)1521-3919(19981101)7:6<619::aid-mats619>3.0.co;2-v
Subject(s) - polystyrene , copolymer , molecular dynamics , methyl methacrylate , materials science , polymer chemistry , dipole , block (permutation group theory) , methacrylate , block structure , dynamics (music) , chemical physics , chemistry , polymer , computational chemistry , composite material , physics , organic chemistry , geometry , mathematics , welding , acoustics
Molecular dynamics is applied to the system of polystyrene‐ block ‐poly(methyl methacrylate). The simulation shows that for the block copolymer system, a layered structure, which reflects microphase separation, is obtained and this structure is stable. In order to elucidate that the formation of the layered structure is reasonable, some static properties such as the radial distribution function and the dipole moment are analyzed in some detail.