Direct determination of phase behavior of square-well fluids

We have combined Gibbs ensemble Monte Carlo simulations with the aggregation volume-biased method in conjunction with the Gibbs-Duhem method to provide the first direct estimates for the vapor-solid, vapor-liquid, and liquid-solid phase coexistences of square-well fluids with three different ranges of attraction. Our results are consistent with the previous simulations and verify the notion that the vapor-liquid coexistence behavior becomes metastable for cases where the attraction well becomes smaller than 1.25 times the particle diameter. In these cases no triple point is found.

@article{liu2005direct,
  title   = {Direct determination of phase behavior of square-well fluids},
  author  = {Liu, Hongjun and Garde, Shekhar and Kumar, Sanat},
  journal = {The Journal of chemical physics},
  volume  = {123},
  pages   = {174505},
  year    = {2005},
  doi     = {10.1063/1.2085051}
}