Numerical modeling of CO2, water, sodium chloride, and magnesium carbonates equilibrium to high temperature and pressure

Abstract

In this work, a thermodynamic model of CO2-H2O-NaCl-MgCO3 systems is developed.sThe new model is applicable for 0–200 fiC, 1–1000 bar and halite concentration up to saturation. The Pitzer model is used to calculate aqueous species activity coeficients and the Peng–Robinson model is used to calculate fugacity coeficients of gaseous phase species. Non-linear equations of chemical potentials, mass conservation, and charge conservation are solved by successive substitution method to achieve phase existence, species molality, pH of water, etc., at equilibrium conditions. From the calculated results of CO2-H2O-NaCl-MgCO3 systems with the new model, it can be concluded that (1) temperature effects are different for different MgCO3 minerals; landfordite solubility increases with temperature; with temperature increasing, nesquehonite solubility decreases first and then increases at given pressure; (2) CO2 dissolution in water can significantly enhance the dissolution of MgCO3 minerals, while MgCO3 influences on CO2 solubility can be ignored; (3) MgCO3 dissolution in water will buffer the pH reduction due to CO2 dissolution.