Threshold criterion for wetting at the triple point

نویسندگان

  • Curtarolo
  • Stan
  • Bojan
  • Cole
  • Steele
چکیده

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 CO2 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 approximately 3.3.

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عنوان ژورنال:
  • Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

دوره 61 2  شماره 

صفحات  -

تاریخ انتشار 2000