Analysis of the static properties of cluster formations in symmetric linear multiblock copolymers

Nikolaos G. Fytas, P. E. Theodorakis

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    We use molecular dynamics simulations to study the static properties of a single linear multiblock copolymer chain under poor solvent conditions varying the block length N, the number of blocks n, and the solvent quality by variation of the temperature T. We study the most symmetrical case, where the number of blocks of monomers of type A, nA, equals that of monomers B, nB (nA = nB = n/2), the length of all blocks is the same irrespective of their type, and the potential parameters are also chosen symmetrically, as for a standard Lennard-Jones fluid. Under poor solvent conditions the chains collapse and blocks with monomers of the same type form clusters, which are phase separated from the clusters with monomers of the other type. We study the dependence of the size of the clusters formed on n, N and T. Furthermore, we discuss our results with respect to recent simulation data on the phase behaviour of such macromolecules, providing a complete picture for the cluster formations in single multiblock copolymer chains under poor solvent conditions.
    Original languageEnglish
    Article number235106
    JournalJournal of Physics: Condensed Matter
    Issue number23
    Publication statusPublished - 25 May 2011

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