The modified NRTL (m-NRTL) model is used to represent the excess Gibbs free energy of aqueous (alcohol + electrolyte) solutions. In this work, the m-NRTL model previously developed for representation of vapor-liquid equilibria for (polymer + salt + water) systems has been extended to represent liquid-liquid equilibria of (alcohol + salt + water) systems. The proposed extension is a modified of ...

The present study investigates the use of different GE mixing rules in cubic equations of state for prediction of phase behavior of multicomponent hydrocarbon systems. To predict VLE data in multicomponent symmetric and asymmetric mixtures such as systems that contain light gases (nitrogen, carbon dioxide, etc.) and heavy hydrocarbons, the SRK equation of state has been combined with excess Gib...

The phase diagram of a simple model with two patches of type A and ten patches of type B (2A10B) on the face centred cubic lattice has been calculated by simulations and theory. Assuming that there is no interaction between the B patches the behavior of the system can be described in terms of the ratio of the AB and AA interactions, r. Our results show that, similarly to what happens for relate...

We have used Monte Carlo simulation and the Gibbs–Duhem integration technique to calculate temperature– composition and pressure–temperature phase diagrams for binary Lennard–Jones mixtures. We systematically explore Lennard–Jones parameter space to demonstrate how the features of these phase diagrams change as a function of diameter ratio, well-depth ratio, binary interaction parameter, and pr...

A new apparatus based on a static-analytic method was developed in this work to perform high-pressure vapor-liquid equilibria measurements up to 68 MPa and 373 K. In order to validate this new apparatus, vapor-liquid equilibria of the binary system CO2 + ethanol was measured at temperatures of 313, 323 and 338 K and pressures from 1.2 to 11 MPa. Results were compared with data from the literatu...