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Lennard-Jones fluids confined in nanoscopic slits: Evidence for reentrant filling transitions

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Abstract.

By using grand canonical and canonical ensemble Monte Carlo simulations, the structure and phase behavior of a Lennard-Jones (LJ) fluid confined between the parallel (100) planes of a face-centered cubic crystal are studied. Slit pores with a width which allows three adsorbate layers to form are used. It is shown that the filled pore consists of three commensurate layers over a wide range of the surface potential strength, while the pore-filling mechanism and the topology of the phase diagram change when the strength of this fluid-wall potential is varied. Condensation may occur in one step or via two layering-like transitions. The structure of monolayer films depends on the strength and corrugation of the surface potential, and the condensation of the middle layer may induce a reentrant first-order transition.

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Authors and Affiliations

  1. Faculty of Chemistry, MCS University, 20031, Lublin, Poland

    L. Sałamacha, A. Patrykiejew & S. Sokołowski

  2. Institut für Physik, Johannes-Gutenberg-Universität Mainz, 55099, Mainz, Germany

    K. Binder

Authors
  1. L. Sałamacha
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  2. A. Patrykiejew
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  3. S. Sokołowski
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  4. K. Binder
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Corresponding author

Correspondence to A. Patrykiejew.

Additional information

Received: 16 January 2004, Published online: 23 March 2004

PACS:

64.70.Nd Structural transitions in nanoscale materials - 64.60.Cn Order-disorder transformations; statistical mechanics of model systems - 68.35.Rh Phase transitions and critical phenomena

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Sałamacha, L., Patrykiejew, A., Sokołowski, S. et al. Lennard-Jones fluids confined in nanoscopic slits: Evidence for reentrant filling transitions. Eur. Phys. J. E 13, 261–265 (2004). https://doi.org/10.1140/epje/i2003-10074-x

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  • DOI: https://doi.org/10.1140/epje/i2003-10074-x

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