Thermodynamic modeling of gas solubility in aqueous sodium chloride solution

doi:10.1016/j.cjche.2020.09.056

Chinese Journal of Chemical Engineering ›› 2021, Vol. 38 ›› Issue (10): 184-195.DOI: 10.1016/j.cjche.2020.09.056

• Chemical Engineering Thermodynamics • Previous Articles Next Articles

Thermodynamic modeling of gas solubility in aqueous sodium chloride solution

Li Sun^1,2, Jierong Liang³

1. College of Mechanical and Electrical Engineering, Hohai University, Changzhou 213022, China;
2. Department of Chemical and Biochemical Engineering, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark;
3. Department of Energy Conversion and Storage, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark

Received:2020-08-07 Revised:2020-09-14 Online:2021-12-02 Published:2021-10-28
Contact: Li Sun
Supported by:
The authors thank the Department of Chemical and Biochemical Engineering at Technical University of Denmark, College of Mechanical and Electrical Engineering at Hohai University, and School of Energy and Power Engineering at Wuhan University of Technology for supporting this research.

Thermodynamic modeling of gas solubility in aqueous sodium chloride solution

Li Sun^1,2, Jierong Liang³

1. College of Mechanical and Electrical Engineering, Hohai University, Changzhou 213022, China;
2. Department of Chemical and Biochemical Engineering, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark;
3. Department of Energy Conversion and Storage, Technical University of Denmark, 2800 Kgs. Lyngby, Denmark

通讯作者: Li Sun
基金资助:
The authors thank the Department of Chemical and Biochemical Engineering at Technical University of Denmark, College of Mechanical and Electrical Engineering at Hohai University, and School of Energy and Power Engineering at Wuhan University of Technology for supporting this research.

Abstract

Abstract: An electrolyte Equation of State is presented by combining the Cubic Plus Association Equation of State, Mean Spherical Approximation and the Born equation. This new model uses experimental relative static permittivity, intend to predict well the activity coefficients of individual ions (ACI) and liquid densities of aqueous solutions. This new model is applied to model water + NaCl binary system and water + gas + NaCl ternary systems. The cation/anion-water interaction parameters of are obtained by fitting the experimental data of ACI, mean ionic activity coefficients (MIAC) and liquid densities of water + NaCl binary system. The cation/anion-gas interaction parameters are obtained by fitting the experimental data of gas solubilities in aqueous NaCl solutions. The modeling results show that this new model can correlate well with the phase equilibrium and volumetric properties. Without gas, predictions for ACI, MIAC, and liquid densities present relative average deviations of 1.3%, 3.6% and 1.4% compared to experimental reference values. For most gas-containing systems, predictions for gas solubilities present relative average deviations lower than 7.0%. Further, the contributions of ACI, and salting effects of NaCl on gases are analyzed and discussed.

Key words: Thermodynamic modeling, Liquid density, Activity coefficients of individual ions, Gas solubility

摘要： An electrolyte Equation of State is presented by combining the Cubic Plus Association Equation of State, Mean Spherical Approximation and the Born equation. This new model uses experimental relative static permittivity, intend to predict well the activity coefficients of individual ions (ACI) and liquid densities of aqueous solutions. This new model is applied to model water + NaCl binary system and water + gas + NaCl ternary systems. The cation/anion-water interaction parameters of are obtained by fitting the experimental data of ACI, mean ionic activity coefficients (MIAC) and liquid densities of water + NaCl binary system. The cation/anion-gas interaction parameters are obtained by fitting the experimental data of gas solubilities in aqueous NaCl solutions. The modeling results show that this new model can correlate well with the phase equilibrium and volumetric properties. Without gas, predictions for ACI, MIAC, and liquid densities present relative average deviations of 1.3%, 3.6% and 1.4% compared to experimental reference values. For most gas-containing systems, predictions for gas solubilities present relative average deviations lower than 7.0%. Further, the contributions of ACI, and salting effects of NaCl on gases are analyzed and discussed.

关键词: Thermodynamic modeling, Liquid density, Activity coefficients of individual ions, Gas solubility

Li Sun, Jierong Liang. Thermodynamic modeling of gas solubility in aqueous sodium chloride solution[J]. Chinese Journal of Chemical Engineering, 2021, 38(10): 184-195.

Li Sun, Jierong Liang. Thermodynamic modeling of gas solubility in aqueous sodium chloride solution[J]. 中国化学工程学报, 2021, 38(10): 184-195.

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Thermodynamic modeling of gas solubility in aqueous sodium chloride solution

Thermodynamic modeling of gas solubility in aqueous sodium chloride solution

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