화학공학소재연구정보센터
Journal of Chemical Physics, Vol.117, No.11, 5101-5104, 2002
Predicting water's phase diagram and liquid-state anomalies
Water expands upon freezing, has minima in its volume, heat capacity, and isothermal compressibility with temperature, and shows signs of a first-order phase transition when supercooled. We present an analytical molecular theory that can account for these behaviors. It suggests that local network formation and hydrogen-bonding cooperativity between triplets of neighboring molecules are keys to understanding water's thermodynamics.