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 language | English |
|---|---|
| Pages (from-to) | 5647-5654 |
| Number of pages | 8 |
| Journal | Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics |
| Volume | 59 |
| Issue number | 5 B |
| Publication status | Published - 1999 |
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ASJC Scopus subject areas
- Physics and Astronomy(all)
- Condensed Matter Physics
- Statistical and Nonlinear Physics
- Mathematical Physics
Cite this
Effects of polymer chains on structure and dynamics of supercooled water in poly(vinyl alcohol). / Tamai, Yoshinori; Tanaka, Hideki.
In: Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, Vol. 59, No. 5 B, 1999, p. 5647-5654.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Effects of polymer chains on structure and dynamics of supercooled water in poly(vinyl alcohol)
AU - Tamai, Yoshinori
AU - Tanaka, Hideki
PY - 1999
Y1 - 1999
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0038119902&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0038119902&partnerID=8YFLogxK
M3 - Article
C2 - 11969548
AN - SCOPUS:0038119902
VL - 59
SP - 5647
EP - 5654
JO - Physical Review E
JF - Physical Review E
SN - 2470-0045
IS - 5 B
ER -