TY - JOUR
T1 - Solubility modeling of air in aqueous electrolyte solutions with the E-CPA equation of state
AU - Sun, Li
AU - Liang, Xiaodong
AU - von Solms, Nicolas
AU - Kontogeorgis, Georgios M.
PY - 2020
Y1 - 2020
N2 - Accurate prediction of the solubilities of air (as well as nitrogen: N2; oxygen: O2; and argon) in aqueous electrolyte solutions is very important for geological studies and in the chemical industry. However, very few electrolyte equations of state have been successfully used for the calculations of these gas solubilities. This work presents a thermodynamic modeling study on the solubilities of N2, O2, argon, and gas mixtures in pure water and aqueous solutions of several inorganic salts with the electrolyte Cubic Plus Association equation of state (e-CPA). The binary interaction parameters between the cation/anion and gas are obtained by fitting the experimental data of gas solubilities in single-salt solutions. The results show that the e-CPA can satisfactorily correlate the gas solubilities for most systems. For example, the e-CPA gives deviations of 4% for the O2 solubilities in aqueous NaCl solution. The e-CPA is then applied to predict the solubilities of gas mixtures and multisalt systems (gas mixture in pure water and gas mixture in aqueous multisalt solutions), and satisfactory performance is achieved. For example, the e-CPA gives deviations of 4% for the air solubilities in aqueous NaCl solution.
AB - Accurate prediction of the solubilities of air (as well as nitrogen: N2; oxygen: O2; and argon) in aqueous electrolyte solutions is very important for geological studies and in the chemical industry. However, very few electrolyte equations of state have been successfully used for the calculations of these gas solubilities. This work presents a thermodynamic modeling study on the solubilities of N2, O2, argon, and gas mixtures in pure water and aqueous solutions of several inorganic salts with the electrolyte Cubic Plus Association equation of state (e-CPA). The binary interaction parameters between the cation/anion and gas are obtained by fitting the experimental data of gas solubilities in single-salt solutions. The results show that the e-CPA can satisfactorily correlate the gas solubilities for most systems. For example, the e-CPA gives deviations of 4% for the O2 solubilities in aqueous NaCl solution. The e-CPA is then applied to predict the solubilities of gas mixtures and multisalt systems (gas mixture in pure water and gas mixture in aqueous multisalt solutions), and satisfactory performance is achieved. For example, the e-CPA gives deviations of 4% for the air solubilities in aqueous NaCl solution.
U2 - 10.1021/acs.iecr.0c03164
DO - 10.1021/acs.iecr.0c03164
M3 - Journal article
SN - 0888-5885
VL - 59
SP - 18693
EP - 18704
JO - Industrial & Engineering Chemistry Research
JF - Industrial & Engineering Chemistry Research
IS - 41
ER -