| Abstract: | To study an energetically preferable structure of the proton subsystem of hexagonal ice we suggest a topological model that takes into account the energy nonequivalence of H-bonds with different conformational orientations. In the ground state, the model is disordered in every hexagonal layer and ordered along the c axis. In a self-consistent field approximation, the configuration entropy of the layer, which amounts to 15% of the value in Pauling's model, is estimated by various methods. Institute of Earth Cryosphere, Siberian Branch, Russian Academy of Sciences. Translated fromZhurnal Strukturnoi Khimii, Vol. 37, No. 6, pp. 1089–1098, November–December, 1996. Translated by L. Smolina |
