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Threshold criterion for wetting at the triple point

S. Curtarolo·G. Stan·M. J. Bojan·M. W. Cole·W. A. Steele
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Abstract

Grand canonical simulations are used to calculate adsorption isotherms of various classical gases on alkali metal and Mg surfaces. Ab initio adsorption potentials and Lennard-Jones gas-gas interactions are used. Depending on the system, the resulting behavior can be nonwetting for all temperatures studied, complete wetting, or (in the intermediate case) exhibit a wetting transition. An unusual variety of wetting transitions at the triple point is found in the case of a specific adsorption potential of intermediate strength. The general threshold for wetting near the triple point is found to be close to that predicted with a heuristic model of Cheng et al. This same conclusion was drawn in a recent experimental and simulation study of Ar on CO_2 by Mistura et al. These results imply that a dimensionless wetting parameter w is useful for predicting whether wetting behavior is present at and above the triple temperature. The nonwetting/wetting crossover value found here is w circa 3.3.

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S. Curtarolo, G. Stan, M. J. Bojan, M. W. Cole, W. A. Steele. 1999-06-11. Threshold criterion for wetting at the triple point. https://doi.org/10.1103/physreve.61.1670

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