Industrial & Engineering Chemistry Research, Vol.36, No.10, 4391-4396, 1997
Liquid-Liquid Equilibrium Modeling of Ternary Hydrocarbon Plus Water Plus Alkanol Systems
The associated perturbed anisotropic chain theory (APACT) and the hole quasilattice group-contribution model (HM) have been used to model liquid-liquid equilibria at low pressure in ternary systems composed of hydrocarbons (n-heptane, heptene-1, heptyne-1, benzene, toluene), water, and alkanols (methanol, ethanol, n-propanol, n-butanol, n-pentanol, n-hexanol). Calculations of phase diagrams have been carried out and compared with experimental data. Both equations of state (EOS) tested describe the phase diagrams reasonably well and give the correct slope to the tie lines. However, the HM reproduces the binodal curves better than does the APACT model. In most cases the EOS predict the correct type of phase diagram. The results show that the HM is not only able to fit the experimental data but can be recommended also to predict the liquid-liquid equilibria for the systems under consideration.
Keywords:GROUP-CONTRIBUTION EQUATION;ANISOTROPIC-CHAIN THEORY;PHASE-EQUILIBRIA;ASSOCIATING FLUIDS;GENERALIZED EQUATION;CRITICAL REGION;STATE;MIXTURES;MOLECULES;PREDICTION