We develop a series of molecular dynamics computer simulations of liquid water, performed with a polarizable potential model, to calculate the spinodal line and the curve of maximum density inside the metastable supercooled region. After analyzing the structural properties, the liquid spinodal line is followed down to T=210 K. A monotonic decrease is found in the explored region. The curve of maximum density bends on approaching the spinodal line. These results, in agreement with similar studies on nonpolarizable models of water, are consistent with the existence of a second critical point for water.

Spinodal of supercooled polarizable water

2007

Abstract

We develop a series of molecular dynamics computer simulations of liquid water, performed with a polarizable potential model, to calculate the spinodal line and the curve of maximum density inside the metastable supercooled region. After analyzing the structural properties, the liquid spinodal line is followed down to T=210 K. A monotonic decrease is found in the explored region. The curve of maximum density bends on approaching the spinodal line. These results, in agreement with similar studies on nonpolarizable models of water, are consistent with the existence of a second critical point for water.
2007
INFM
NETWORK-FORMING FLUIDS
LIQUID WATER
MOLECULAR-DYNAMICS
SUPERCRITICAL CONDITIONS
COMPUTER-SIMULATION
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/169833
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