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The striking behavior of water has deserved it to be referred to as an"anomalous" liquid. The water anomalies are greatly amplified in metastable(supercooled/stretched) regions. This makes difficult a complete experimentaldescription since, beyond certain limits, the metastable phase necessarilytransforms into the stable one. Theoretical interpretation of the wateranomalies could then be based on simulation results of well validated watermodels. But the analysis of the simulations has not yet reached a consensus. Inparticular, one of the most popular theoretical scenarios -involving theexistence of a liquid-liquid critical point (LLCP)- is disputed by severalauthors. In this work we propose to use a number of exact thermodynamicrelations which can be tested in a region of the phase diagram outside the LLCPthus avoiding the problems associated to the coexistence region. The centralproperty connected to other water anomalies is the locus of temperatures atwhich the density along isobars attain a maximum (TMD line) or a minimum (TmD),computed via simulations for a successful water model, TIP4P/2005. Next, wehave evaluated the vapor-liquid spinodal in the region of large negativepressures. The shape of these curves and their connection to the extrema ofresponse functions (isothermal compressibility and heat capacity at constantpressure) may help to elucidate the validity of the theoretical proposals. Inthis way we are able to present for the first time a comprehensive scenario ofthe thermodynamic water anomalies for TIP4P/2005 and their relation to thevapor-liquid spinodal. The overall picture shows a remarkable similarity withthe corresponding one for the ST2 water model, for which the existence of aLLCP has been demonstrated in recent years. It also provides a hint as to wherethe long-sought for extrema in response functions might become accessible toexperiments.

A comprehensive scenario of the thermodynamic anomalies of water using the TIP4P/2005 model