Title of article :
A temperature of maximum density in soft sticky dipole water
Author/Authors :
Tan، نويسنده , , Ming-Liang and Fischer، نويسنده , , Justin T. and Chandra، نويسنده , , Amalendu and Brooks، نويسنده , , Bernard R. and Ichiye، نويسنده , , Toshiko، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2003
Pages :
7
From page :
646
To page :
652
Abstract :
A temperature of maximum density near 260 K at 1 atm has been found for the soft sticky dipole (SSD) water model in molecular dynamics simulations. The parameters of SSD have been optimized to reproduce the density of water as well as other structural, thermodynamic, dielectric, and dynamic properties at room temperature and 1 atm. Remarkably, this simple model is able to reproduce the anomalous temperature dependence of the density using parameters optimized at room temperature. Furthermore, these results indicate that the tetrahedral nature of water is important in determining this anomalous behavior.
Journal title :
Chemical Physics Letters
Serial Year :
2003
Journal title :
Chemical Physics Letters
Record number :
1782805
Link To Document :
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