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Microphase Separation within a Comb Copolymer with Attractive Side Chains: A Computer Simulation Study
Author(s) -
Vasilevskaya V. V.,
Klochkov A. A.,
Khalatur P. G.,
Khokhlov A. R.,
ten Brinke G.
Publication year - 2001
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 - 10.1002/1521-3919(20010401)10:4<389::aid-mats389>3.0.co;2-#
Subject(s) - copolymer , side chain , polymer chemistry , materials science , polymer science , separation (statistics) , computer science , chemical engineering , polymer , engineering , composite material , machine learning
Computer simulation modelling of a flexible comb copolymer with attractive interactions between the monomer units of the side chains is performed. The conditions for the coil‐globule transition, induced by the increase of attractive interaction, ε , between side chain monomer units, are analysed for different values of the number of monomer units in the backbone , N , in the side chains, n , and between successive grafting points, m . It is shown that the coil‐globule transition of such a copolymer corresponds to a first‐order phase transition. The energy of attraction ( ε ) required for the realisation of the coil‐globule transition decreases with increasing n and decreasing m . The coil‐globule transition is accompanied by significant aggregation of side chain units. The resulting globule has a complex structure. In the case of a relatively short backbone (small value of N ), the globule consists of a spherical core formed by side chains and an enveloping shell formed by the monomer units of the backbone. In the case of long copolymers (large value of N ), the side chains form several spherical micelles while the backbone is wrapped on the surfaces of these micelles and between them.