Vapor-liquid equilibrium prediction at high pressures using activity coefficients at infinite dilution from COSMO-type methods

摘要

Predictions of vapor-liquid equilibria at high temperatures and pressures were obtained by applying a modified procedure using the Huron-Vidal mixing rule based on available activity coefficients at infinite dilution and low pressures. These activity coefficients were calculated with so-called conductor-like screening model for real solvents (COSMO-RS) and with a variation of this model, known as segment activity coefficient (COSMO-SAC) model.In this work, the performances of the mixing rule (HVID model) coupled with the SRK equation of state and a reduced UNIQUAC model are presented for six binary systems and a ternary system, whose VLE data are available over a large temperature and pressure range. © 2005 Published by Elsevier B.V.