Temperature dependence of thermodynamic properties of a polarizable potential model of water

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Abstract
The temperature dependence of several thermodynamic properties of water is determined at atmospheric pressure by a set of computer simulations with a polarizable potential model. It is found that the maximum of the density occurs at the correct temperature, but the decrease in density with increasing temperature is more rapid than expected for real water. Consequently, the temperature dependence of other quantities, especially that of the thermal expansion coefficient, is reproduced with some inaccuracies. The model, however, turns out to be a definitive improvement over similar non-polarizable ones, for which the density maximum is either missing or found to be shifted considerably with temperature.