Structure and Dynamics of Poly(Vinyl Alcohol) Hydrogel

Yoshinori Tamai, Hideki Tanaka

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

Molecular dynamics simulations for models of poly(Vinyl Alcohol) hydrogels and pure water have been carried out over a wide temperature range including the glass transition temperature to examine structure and dynamics of supercooled water in hydrogels. The temperature dependences of thermodynamic properties and rotational relaxation times at atmospheric pressure are investigated. Those properties depend seriously on mobility of polymer chains and network structures of hydrogen bonds. It is found that polymer chains affect significantly the dynamic properties and the fragile-strong character of water. Structure and dynamics of water in PVA hydrogels are characterized by two dynamical modes, the motion of main chains and that of side chains, whose time scales are different from motion of water.

Original languageEnglish
Pages (from-to)283-301
Number of pages19
JournalMolecular Simulation
Volume21
Issue number5-6
Publication statusPublished - 1999

Fingerprint

Hydrogel
Alcohol
Hydrogels
alcohols
Alcohols
Water
water
Polymers
Hydrogen Bonds
Motion
Thermodynamic Properties
Glass Transition
polymers
Dynamic Properties
Temperature Dependence
Relaxation Time
Network Structure
Relaxation time
dynamic characteristics
glass transition temperature

Keywords

  • Hydrogen bond networks
  • Poly(vinyl alcohol) hydrogels
  • Supercooled water

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Structure and Dynamics of Poly(Vinyl Alcohol) Hydrogel. / Tamai, Yoshinori; Tanaka, Hideki.

In: Molecular Simulation, Vol. 21, No. 5-6, 1999, p. 283-301.

Research output: Contribution to journalArticle

Tamai, Yoshinori ; Tanaka, Hideki. / Structure and Dynamics of Poly(Vinyl Alcohol) Hydrogel. In: Molecular Simulation. 1999 ; Vol. 21, No. 5-6. pp. 283-301.
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