Temperature of maximum density line of a polarizable water model.
Monte Carlo simulations of liquid water were performed with a polarizable model in a narrow range of temperatures around the temperature of maximum density (TMD) and a broad pressure range, extended also to negative pressures. In order to infer features of the phase diagram relevant for the explanation of the anomalous behavior of water the pressure dependence of the TMD line was analyzed. The TMD is found to increase with decreasing pressure up to 274.8 K at -32 bar, and decrease upon further stretching. This behavior excludes the possibility of a reentrant liquid-gas spinodal line.
Jedlovszky
Pál
P
Department of Colloid Chemistry, Eötvös Loránd University, Pázmány Péter sétány. 1/a, H-1117 Budapest, Hungary.
Vallauri
Renzo
R