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Numerical Modeling of CO2, Water, Sodium Chloride, and Magnesium Carbonates Equilibrium to High Temperature and Pressure

by Jun Li * and Xiaochun Li
State Key Laboratory of Geomechanics and Geotechnical Engineering, Institute of Rock and Soil Mechanics, Chinese Academy of Sciences, Wuhan 430071, China
*
Author to whom correspondence should be addressed.
Energies 2019, 12(23), 4533; https://doi.org/10.3390/en12234533
Received: 26 September 2019 / Revised: 25 November 2019 / Accepted: 27 November 2019 / Published: 28 November 2019
In this work, a thermodynamic model of CO2-H2O-NaCl-MgCO3 systems is developed. The new model is applicable for 0–200 °C, 1–1000 bar and halite concentration up to saturation. The Pitzer model is used to calculate aqueous species activity coefficients and the Peng–Robinson model is used to calculate fugacity coefficients 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. View Full-Text
Keywords: thermodynamic modeling; CO2 storage; MgCO3 minerals; phase behaviors; mineral solubility; CO2 solubility thermodynamic modeling; CO2 storage; MgCO3 minerals; phase behaviors; mineral solubility; CO2 solubility
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MDPI and ACS Style

Li, J.; Li, X. Numerical Modeling of CO2, Water, Sodium Chloride, and Magnesium Carbonates Equilibrium to High Temperature and Pressure. Energies 2019, 12, 4533.

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