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Numerical Modeling of CO 2 , Water, Sodium Chloride, and Magnesium Carbonates Equilibrium to High Temperature and Pressure

Author

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  • Jun Li

    (State Key Laboratory of Geomechanics and Geotechnical Engineering, Institute of Rock and Soil Mechanics, Chinese Academy of Sciences, Wuhan 430071, China)

  • Xiaochun Li

    (State Key Laboratory of Geomechanics and Geotechnical Engineering, Institute of Rock and Soil Mechanics, Chinese Academy of Sciences, Wuhan 430071, China)

Abstract

In this work, a thermodynamic model of CO 2 -H 2 O-NaCl-MgCO 3 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 CO 2 -H 2 O-NaCl-MgCO 3 systems with the new model, it can be concluded that (1) temperature effects are different for different MgCO 3 minerals; landfordite solubility increases with temperature; with temperature increasing, nesquehonite solubility decreases first and then increases at given pressure; (2) CO 2 dissolution in water can significantly enhance the dissolution of MgCO 3 minerals, while MgCO 3 influences on CO 2 solubility can be ignored; (3) MgCO 3 dissolution in water will buffer the pH reduction due to CO 2 dissolution.

Suggested Citation

  • Jun Li & Xiaochun Li, 2019. "Numerical Modeling of CO 2 , Water, Sodium Chloride, and Magnesium Carbonates Equilibrium to High Temperature and Pressure," Energies, MDPI, vol. 12(23), pages 1-16, November.
    • Handle: RePEc:gam:jeners:v:12:y:2019:i:23:p:4533-:d:291874
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    References listed on IDEAS

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    1. Jun Li & Raheel Ahmed & Xiaochun Li, 2018. "Thermodynamic Modeling of CO 2 -N 2 -O 2 -Brine-Carbonates in Conditions from Surface to High Temperature and Pressure," Energies, MDPI, vol. 11(10), pages 1-18, October.
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    Cited by:

    1. Mahboubeh Rahmati-Abkenar & Milad Alizadeh & Marcelo Ketzer, 2021. "A New Dynamic Modeling Approach to Predict Microbial Methane Generation and Consumption in Marine Sediments," Energies, MDPI, vol. 14(18), pages 1-17, September.

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