A Study of the Critical Cluster Size for Water Monolayer Clusters on a Model AgI Basal Substrate
We present a formalism and estimate a critical cluster size for water monolayer formation on a (rigid) model AgI basal substrate. The formalism is modified from that developed for vapor clusters [B. N. Hale and R. C. Ward, J. Stat. Phys. 28, 487 (1982)] and uses a Metropolis Monte Carlo method developed by Squire and Hoover [J. Chem. Phys. 50, 701 (1969)] to determine (Helmholtz) free energy differences for clusters containing n and n-1 molecules. Calculations for clusters of n=1, 2, 3, 4, 6, and 24 water molecules on a model AgI basal face at 265 K are used in a statistical mechanical formalism which assumes that the adsorbed clusters form a mixture of noninteracting ideal gases; the adsorbed monomer concentration is related to the vapor concentration at the same temperature. At water saturation and 265 K a critical cluster size of n*=3 molecules and a steady state nucleation rate (for monolayer formation) of 1023 cm-2 s-1 is predicted. The implications of this for ice nucleation on the model AgI substrate under atmospheric conditions are discussed.
R. C. Ward et al., "A Study of the Critical Cluster Size for Water Monolayer Clusters on a Model AgI Basal Substrate," Journal of Chemical Physics, vol. 78, no. 1, pp. 420 - 423, American Institute of Physics (AIP), Jan 1982.
The definitive version is available at https://doi.org/10.1063/1.444519
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© 1982 American Institute of Physics (AIP), All rights reserved.
01 Jan 1982