Characterization of liquid-liquid equilibrium (LLE) in system containing ionic liquids (ILs) is important in evaluating ILs as candidates for replacing traditional extraction and separation solvents. Though an increasing amount of experimental LLE data is becoming available, comprehensive coverage of ternary liquid-phase behavior via experimental observation is impossible. Therefore, it is impo...

In this paper we propose a framework for Model-based Sequential Optimal Design of Experiments to assist experimenters involved in Vapor-Liquid equilibrium characterization studies systematically construct thermodynamically consistent models. The approach uses an initial continuous optimal design obtained via semidefinite programming, and then iterates between two stages (i) model fitting using ...

A comprehensive mixed-solvent electrolyte model has been extended to calculate liquid– liquid equilibria in water–organic salt systems. Also, it has been applied to calculate phase equilibria and speciation in strongly associating systems such as sulfuric acid/oleum (H2SO4+SO3+H2O) in the entire concentration range. The model combines an excess Gibbs energy model with detailed speciation calcul...

The salting out of acetonitrile from water in the presence ammonium bicarbonate was studied at atmospheric pressure 4 to 35 °C. coexisting phases were analyzed independently with H1 nuclear magnetic resonance, ion chromatography, calorimetry, and titrations. binodal region described semiempirical functions UNIQUAC thermodynamic model. critical composition ambient temperature is given by 0.02 g/...

The interest in ionic liquids (ILs) as replacements for more hazardous solvents has been growing over the last years, especially industrial synthesis and liquid-liquid separations. Consequently, it is important to study their degree of dissociation (α), which quantifies ratio IL molecules dissociated into ions significantly influences viscosity, density, surface tension. In this work, ILs binar...

The development of a reactive distillation process for the production of n-butyl acetate by transesterification of methyl acetate with n-butanol is presented. Thermodynamic aspects of the quaternary system n-butyl acetate – n-butanol – methyl acetate – methanol are discussed and UNIQUAC interaction parameters derived using the Dortmund Data Bank (DDB) are given. The reaction kinetics of the het...