Molecular dynamics simulation of supersaturated vapor nucleation in slit pore. II. Thermostatted atomic-wall model

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Original languageEnglish
Pages (from-to)9578-9584
Journal / PublicationJournal of Chemical Physics
Issue number21
Publication statusPublished - 1 Jun 2001
Externally publishedYes


Molecular dynamics simulations of supersaturated Lennard-Jones vapor nucleation in silt nanopores were performed. Results showed that the diffusion of absorbed particles on the structureless wall was faster than those on the atomic wall. It was also noticed that the rate of nucleus formation on the structureless wall was one order of magnitude lower. Sensitivity of the rate of nucleus formation on the wall was found more to the kinetics of adsorption of gas particles onto the wall than the diffusion rate of absorbed particles.

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