Abstract
The heat capacities of ice and water at ambient pressure are reexamined to build an intrinsic correlation between H2O molecular motions and the heat capacity. Based on the evolution of H2O molecular motions, a satisfactory description of the heat capacity of ice and water is provided. The heat capacity of ice is related not only to H2O molecular vibrations, but also to the molecular rotations. In water, all H2O molecular vibrations, rotations and translations contribute to the heat capacity. The molecular translational motions are found to be the main contribution to the large heat capacity of water. The results provide a deep insight into the nature of water and ice at ambient pressure.
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