The huge number of possible combinations of binary mixtures of alcohols and ionic liquids (ILs) make the exhaustive measurement of all these ystems impracticable requiring the use of a predictive model for their study. In this work, the predictive capability of COSMO-RS, a model based n unimolecular quantum chemistry calculations, was evaluated for the description of the liquid–liquid equilibri...

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...

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 concentration-dependent surface area parameter model (Iwai, Fluid Phase Equilibria, 465 (2018) 24–32) was modified to avoid the restriction conditions for parameters of pure components. The is applied correlate ternary liquid-liquid equilibria and constituent binary phase with one set parameters. correlated results both vapor-liquid obtained by are better than those NRTL UNIQUAC models. simul...

To supply biodiesel with the quality levels required by the standards for alternative fuels, the separation and purification units are extremely important in the biodiesel production plants. The correct knowledge and description of the phase equilibria in systems composed by transesterification products is essential for a correct operation and optimization of the purification process. For that ...