(The) improved significant structure theory applied to liquid water

Abstract

Liquid water is the most common liquid on earth, but it has many anomalous properties. These preperties are concerned with the change of the hydrogen bond networks. The significant structure theory is applied to liquid water as a succession of the early work by Jhon et al. In liquid water, the solid-like structure has much difference from that of the ice; this has a infinite network, on the contrary that has not. The water molecules with the broken hydrogen bonds, which are energetically excited ones, have been considered to be very important, and their fraction has been estimated in relation to the total lattice vibrational energies. The spectroscopic data of six degrees of freedom of the lattice vibrational frequencies are used in the partition function. And the cooperative change between the two Ice-like species is maintained. The anomalous properties, including $C_v$, $\alpha$, $\beta$, and $C_p$ are explained both qualitatively and quantitatively.