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.
Gallo, P., Minozzi, M., Rovere, M. (2007). Spinodal of supercooled polarizable water. PHYSICAL REVIEW E, STATISTICAL, NONLINEAR, AND SOFT MATTER PHYSICS, 75(1), 011201 [10.1103/PhysRevE.75.011201].
Spinodal of supercooled polarizable water
Gallo P;ROVERE, Mauro
2007-01-01
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.