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.
Liu
Hongjun
H
Department of Chemical and Biological Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180, USA.
Garde
Shekhar
S
Kumar
Sanat
S