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Structure of liquid–vapor interface of square well fluid confined in a cylindrical pore

Author

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  • Reyes-Mercado, Yuri
  • Orea, Pedro
  • López-Ramírez, Simón
  • Duda, Yurko

Abstract

By means of the canonical Monte Carlo simulations, the vapor–liquid (VL) equilibrium and structure of square well (SW) fluids confined in a single cylindrical pore with repulsive surface, have been studied. Coexistence curves of the confined VL interface are determined for a wide range of temperatures and pore diameters. It is demonstrated that the confinement not only reduces the VL coexistence region but also induces strong inhomogeneities of the VL interface: coexistence liquid densities are different at the pore center and at the wall surface. It may be considered as a preliminary step for an isolated droplet formation inside the pore, as well as a tentative reason of the two VL phase transitions of simple fluids adsorbed into disordered porous media.

Suggested Citation

  • Reyes-Mercado, Yuri & Orea, Pedro & López-Ramírez, Simón & Duda, Yurko, 2009. "Structure of liquid–vapor interface of square well fluid confined in a cylindrical pore," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 388(6), pages 799-805.
    • Handle: RePEc:eee:phsmap:v:388:y:2009:i:6:p:799-805
    DOI: 10.1016/j.physa.2008.11.022
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