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Protein‐like behavior of multiblock copolymer chains in a selective solvent by a variety of lattice and off‐lattice Monte Carlo simulations
Author(s) -
Lewandowski K.,
Knychała P.,
Banaszak M.
Publication year - 2008
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200880252
Subject(s) - monte carlo method , lattice (music) , solvent , copolymer , statistical physics , hexagonal lattice , materials science , chemistry , physics , condensed matter physics , polymer , mathematics , organic chemistry , statistics , antiferromagnetism , acoustics
Abstract We present both lattice and off‐lattice Monte Carlo simulations for multiblock copolymer chains of two lengths, N = 64 and N = 128, with microarchitectures (8–8) 4 and (16–16) 4 , respectively. The simulations demonstrate that a variety of lattice and off‐lattice Monte Carlo methods gives the same protein‐like behavior, showing that the multiblock chains undergo a two‐step transition, first from a swollen state to a secondary “pearl‐necklace” state, and then to a tertiary superglobular state as the solvent quality decreases, that is upon cooling. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)