Aqueous Electrolytes: Phase Diagrams and Process Simulation/Optimization

The Extended UNIQUAC model is a thermodynamic model for aqueous solutions of electrolytes and non-electrolytes. The model has been documented through a number of publications. The model describes the phase behavior and the thermal properties of solutions containing electrolytes. The accuracy of solid-liquid equilibrium and of thermal property calculations is very high. The model parameters used here are valid in the temperature range from the freezing point to the boiling point of the solutions.

The accuracy of the model is best illustrated by displaying calculated and experimental phase diagrams. Examples of such phase diagrams are given on these pages. Calculated phase diagrams are plotted along with experimental data from the open literature in order to demonstrate the accuracy of the model. Binary Phase Diagrams. Ternary Phase Diagrams. Quaternary Phase diagrams. Mixed solvent systems.

The model parameters for the extended UNIQUAC model were determined from binary and ternary data. The ability of this model to predict the phase behavior of multi-component systems is illustrated by the quaternary phase diagrams. The model parameters are based on experimental solid-liquid equilibrium data as well as on experimentally measured activity and osmotic coefficients from the open literature. Also experimentally measured thermal properties such as heat of dilution, heat of solution, and apparent molal heat capacity for salt solutions were used for the determination of model parameters. Thus these properties can also be calculated by the model.

The thermodynamic model makes it possible to perform process simulation and optimization of processes involving aqueous electrolytes.

This site was updated January 26th, 2010



Kaj Thomsen
Aqueous Solutions Aps
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2860 Soborg
Denmark
kaj@phasediagram.dk
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