Comprehensive study of the vapour–liquid coexistence of the truncated and shifted Lennard–Jones fluid including planar and spherical interface properties

@article{Vrabec2006ComprehensiveSO,
  title={Comprehensive study of the vapour–liquid coexistence of the truncated and shifted Lennard–Jones fluid including planar and spherical interface properties},
  author={J. Vrabec and G. K. Kedia and G. Fuchs and H. Hasse},
  journal={Molecular Physics},
  year={2006},
  volume={104},
  pages={1509 - 1527}
}
  • J. Vrabec, G. K. Kedia, +1 author H. Hasse
  • Published 2006
  • Chemistry
  • Molecular Physics
  • Vapour–liquid equilibria of the Lennard–Jones potential, truncated and shifted at 2.5σ, are studied using molecular dynamics simulations, an attractive option for studying inhomogeneous systems. Comprehensive simulation data are reported for three cases: no interface, a planar interface, and a spherical interface between the coexisting phases, covering a wide range of temperatures. Spherical droplets are also studied for a range of radii between 5 and 16σ. The size dependence of the surface… CONTINUE READING
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