TY - JOUR
T1 - Dynamic properties of supercooled water in poly(vinyl alcohol) hydrogel
AU - Tamai, Yoshinori
AU - Tanaka, Hideki
N1 - Funding Information:
This work was supported by the Japan Society for the Promotion of Science and by the Japan Ministry of Education. Computation time was provided by the Supercomputer Laboratory, Institute for Chemical Research, Kyoto University.
PY - 1998/3/13
Y1 - 1998/3/13
N2 - Molecular dynamics simulations for aqueous solution of poly(vinyl alcohol) have been carried out at constant pressure and temperature to examine dynamic behaviors of supercooled water in hydrogels. The temperature dependencies of thermodynamic properties and rotational relaxation times for supercooled water at atmospheric pressure are investigated. It is found that polymer chains significantly affect the dynamic properties and the fragile-strong character of water as well as the density and energy.
AB - Molecular dynamics simulations for aqueous solution of poly(vinyl alcohol) have been carried out at constant pressure and temperature to examine dynamic behaviors of supercooled water in hydrogels. The temperature dependencies of thermodynamic properties and rotational relaxation times for supercooled water at atmospheric pressure are investigated. It is found that polymer chains significantly affect the dynamic properties and the fragile-strong character of water as well as the density and energy.
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U2 - 10.1016/S0009-2614(98)00022-0
DO - 10.1016/S0009-2614(98)00022-0
M3 - Article
AN - SCOPUS:0032512965
SN - 0009-2614
VL - 285
SP - 127
EP - 132
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-2
ER -