Chain length dependence of the state diagram of a single stiff-chain macromolecule

Theory and Monte Carlo simulation

M. R. Stukan, V. A. Ivanov, A. Yu Grosberg, W. Paul, K. Binder

    Research output: Contribution to journalArticle

    Abstract

    The chain length dependence of the size of a toroidal globule and the shift of transition lines in the coil-globule state diagram for single stiff-chain macromolecules of different chain length was analyzed. The investigation was performed using a mean field theoretical approach and Monte Carlo computer simulations. The theoretical and computer simulation results for phase diagram and toroidal size showed reasonable agreement.

    Original languageEnglish (US)
    Pages (from-to)3392-3400
    Number of pages9
    JournalJournal of Chemical Physics
    Volume118
    Issue number7
    DOIs
    StatePublished - Feb 15 2003

    Fingerprint

    Macromolecules
    Chain length
    macromolecules
    globules
    diagrams
    Computer simulation
    computerized simulation
    Phase diagrams
    simulation
    coils
    phase diagrams
    shift
    Monte Carlo simulation

    ASJC Scopus subject areas

    • Atomic and Molecular Physics, and Optics

    Cite this

    Chain length dependence of the state diagram of a single stiff-chain macromolecule : Theory and Monte Carlo simulation. / Stukan, M. R.; Ivanov, V. A.; Grosberg, A. Yu; Paul, W.; Binder, K.

    In: Journal of Chemical Physics, Vol. 118, No. 7, 15.02.2003, p. 3392-3400.

    Research output: Contribution to journalArticle

    Stukan, M. R. ; Ivanov, V. A. ; Grosberg, A. Yu ; Paul, W. ; Binder, K. / Chain length dependence of the state diagram of a single stiff-chain macromolecule : Theory and Monte Carlo simulation. In: Journal of Chemical Physics. 2003 ; Vol. 118, No. 7. pp. 3392-3400.
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