Molecular simulation of the phase behavior of fluids and fluid mixtures using the synthetic method.

  title={Molecular simulation of the phase behavior of fluids and fluid mixtures using the synthetic method.},
  author={Richard J. Sadus},
  journal={The Journal of chemical physics},
  volume={137 5},
  • R. Sadus
  • Published 7 August 2012
  • Chemistry
  • The Journal of chemical physics
A new molecular simulation procedure is reported for determining the phase behavior of fluids and fluid mixtures, which closely follows the experimental synthetic method. The simulation procedure can be implemented using Monte Calro or molecular dynamics in either the microcanonical or canonical statistical ensembles. Microcanonical molecular dynamics simulations are reported for the phase behavior of both the pure Lennard-Jones fluid and a Lennard-Jones mixture. The vapor pressures for the… 
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