Thermodynamic and structural properties of liquid water around the temperature of maximum density in a wide range of pressures: A computer simulation study with a polarizable potential model

摘要: Computer simulations of liquid water have been performed with the polarizable Brodholt–Sampoli–Vallauri (BSV) potential model at several temperatures around temperature maximum density (TMD) in entire pressure range which such a exists thermodynamically stable water. The and dependence thermodynamic structural properties has analyzed on basis these simulations. We find that BSV reproduces most important features this range. is also found to reproduce another anomalous water, i.e., isothermal compressibility goes through minimum when increased. On other hand, it above TMD decreases much faster increasing than real However, failure, common feature models, rather unimportant in...