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.
|Number of pages||6|
|Journal||Chemical Physics Letters|
|Publication status||Published - Mar 13 1998|
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Atomic and Molecular Physics, and Optics