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 ...

Nonaqueous phase liquid (NAPL) contaminants that are chemical mixtures often contain compounds that are solids in their pure states. In the environment, weathering processes cause shifts in multicomponent NAPL composition, thereby enriching the NAPL in the less soluble compounds which may result in their eventual solidification. In this paper, we review the thermodynamic theory governing solid–...

Solid-liquid equilibria of solid mixtures in compressed CO2 are very important in assessing the feasibility of gas-assisted micronization processes such as PGSS (Particles from Gas-Saturated Solution). The determination of solid-liquid transition temperatures, the eutectic temperature and the associated composition of the melt can be problematic and time-consuming. Such data are required in the...

The vapor-liquid equilibria of three recently proposed water models have been computed using Gibbs-Duhem simulations. These models are TIP4P/Ew, TIP4P/2005, and TIP4P/ice and can be considered as modified versions of the TIP4P model. By design TIP4P reproduces the vaporization enthalpy of water at room temperature, whereas TIP4P/Ew and TIP4P/2005 match the temperature of maximum density and TIP...

The extended universal quasichemical (UNIQUAC) model is a thermodynamic model for solutions containing electrolytes and nonelectrolytes. The model is a Gibbs excess function consisting of a Debye–Hückel term and a standard UNIQUAC term. The model only requires binary ion-specific interaction parameters. A unique choice of standard states makes the model able to reproduce solid–liquid, vapor–liq...