Experimental determination of solubility and ternary phase diagram of chiral compound are of tedious and time consuming tasks, and in many cases, there is not enough experimental data for different enantiomeric compositions to access the experimental ternary phase diagram. Using thermodynamic models with predictive capability, having less dependency on experimental data, affords a great advanta...

A novel approach for enclosing all heterogeneous and reactive azeotropes in multi-component mixtures is presented. The thermodynamic conditions for azeotropy form a system of nonlinear equations. A deterministic global optimization approach is introduced in which the global optimization problem may contain multiple global minima and there is a one-to-one correspondence between each global minim...

Boiling points have been determined at 101.33 kPa for the binary mixtures of sulfolane + o-xylene, sulfolane + m-xylene, sulfolane+p-xylene, sulfolane+ethylbenzene and sulfolane+1,2,4-trimethylbenzene. Calculations of the non-ideality of the vapor phase were made with the second virial coefficients evaluated from the Hayden–O’Connell method. The binary parameters for five activity coefficient m...

Modeling of thermodynamic properties mixed-solvent electrolyte solutions is challenging. Reliable experimental data are essential for any model development and parametrization. In this work, a benchmark database (water + methanol/ethanol alkali halide) presented. The available mean ionic activity coefficient (MIAC) vapor–liquid equilibrium (VLE) comprehensively collected critically evaluated 61...

In process simulation, reliable and accurate property estimation methods play an important role in the solution of various simulation problems where convergence is often traced to failures in the reliable predictions of physical and thermodynamic properties. Convergence and reliability of the simulation is heavily dependent on the fluid package selected. Predictions of phase equilibrium using v...

• Aqueous solution of diethylene glycol diethyl ether (DEGDEE) near lower critical temperature (LCST) was studied. Scattering data shows segregation DEGDEE and water in a nanometer length scale without short-range ordering. Fluctuation compared with thermodynamic calculation using the nonrandom two-liquid (NRTL) equation. Disadvantages NRTL model LCST can be attributed to its mean-field charact...