Effects of polymer chains on structure and dynamics of supercooled water in poly(vinyl alcohol)

Yoshinori Tamai, Hideki Tanaka

    Research output: Contribution to journalArticlepeer-review

    21 Citations (Scopus)

    Abstract

    Molecular-dynamics simulations for poly(vinyl alcohol) hydrogels have been carried out in a wide temperature range 150–400 K to examine effects of polymer chains on structure and dynamics of supercooled water in hydrogels. A fragile-strong character of water under perturbations of polymer chains is examined. Polymer chains affect the fragile-strong character of water, which is manifested in temperature dependences of potential energy, translational diffusion coefficient, and orientational relaxation time. Water coexisting with polymer has a rather stronger character in the strong-fragile classification than that in pure water. Structure and dynamics of water in hydrogels are significantly altered by the slow dynamics of polymer chains, as well as the structure and dynamics of hydrogen-bond networks.

    Original languageEnglish
    Pages (from-to)5647-5654
    Number of pages8
    JournalPhysical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
    Volume59
    Issue number5
    DOIs
    Publication statusPublished - Jan 1 1999

    ASJC Scopus subject areas

    • Statistical and Nonlinear Physics
    • Statistics and Probability
    • Condensed Matter Physics

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