Configurational entropy of ice from thermodynamic integration

The configurational entropy of ice is calculated by thermodynamic integration from high to low temperatures. We use Monte Carlo simulations with a simple energy model which reproduces the Bernal–Fowler ice rules. This procedure is found to be precise enough to give reliable values for the residual entropy s th of different ice phases in the thermodynamic limit. First, we check it for a two-dimensional ice model. Second, we calculate s th for ice Ih, and compare our result with those previously given in the literature. Third, we obtain s th for ice VI, for which we find a value clearly higher than for ice Ih.