A molecular model previously applied to prenucleation water clusters is used to examine ice Ih, embryos. The canonical partition function is evaluated for clusters having from 6 to 64 water molecules. The intermolecular vibrational free energies are extrapolated to clusters containing up to 120 molecules and free energies of formation, nucleation rates, and critical supersaturation ratios are calculated and compared with experiment. For the clusters studied, the ice Ih structure appears to be much less stable at all temperatures than the more spherical clathratelike cluster.
B. N. Hale and P. L. Plummer, "Molecular Model for Ice Clusters in a Supersaturated Vapor," Journal of Chemical Physics, vol. 61, no. 10, pp. 4012-4019, American Institute of Physics (AIP), Nov 1974.
The definitive version is available at https://doi.org/10.1063/1.1681694
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© 1974 American Institute of Physics (AIP), All rights reserved.
01 Nov 1974