Anomalous properties of water predicted by the BK3 model

Recently, we proposed a new model for water [P. T. Kiss and A. Baranyai, J. Chem. Phys. 138, 204507 (2013)]. We presented a detailed description of the development of this classical, polarizable model, and a large number of calculated properties. The model provided excellent estimates for ambient liquid properties and reasonably good results from high-pressure solids to gas-phase clusters. In this paper we present results of extensive calculations for temperature-dependent water anomalies in terms of the pressure. The calculated isobars of the temperature-density and the self-diffusion diagrams provide excellent estimates of the experimental values. The estimated compressibility isobars perfectly match the experimental ones if we shift our numbers by similar to 10 K upwards. The calculated pressure-dependent viscosity values are excellent at higher temperatures and qualitatively correct at lower temperatures. (C) 2014 AIP Publishing LLC.