Thermodynamic simulation of li2co3 aqueous solution under fixed co2 pressures

Abstract

The simulation of the thermodynamic properties and phase equilibria in the Li2CO3-H2O system was carried out on the basis of the experimental data obtained by potentiometry method in the previous work of the authors and literature data on liquidus. The molal Pitzer–Harvie model of the ionic interactions in the solution was applied. The goal function included pH and potentiometric experimental data for lithium carbonate in the solution, as well as liquidus data. The optimization refers to the temperature range (273–373) K and CO2 partial pressure range (10−4–10−1) MPa. The final set of model parameters consists of three values corresponding to the interaction between Li+ and CO32− ions.