THERMODYNAMICS OF THE MOLECULAR COMPLEXES WITH CHAINS OF HYDROGEN BONDS

A pseudo-spin reduced basis model for the description of the linear hydrogen-bonds molecular systems with strong correlations between protons on the neighbouring bonds is proposed. The proton states corresponding to the high-energy proton configurations near the heavy ionic groups are excluded from the initial basis. Some aspects of thermodynamics and energy spectrum for the proton subsystem of the molecular complexes are considered in the framework of reduced basis model. It is shown that for the complexes with large but finite number of hydrogen bonds N, the polarizability is proportional to N2, the specific heat is proportional to N−1 and the spectrum includes both zone and localized proton states. At the same time it is shown that correct thermodynamic limit is obtained as N→∞ on the base of pseudo-spin model with initial basis. As a result the limits of application of reduced basis model are determined.