TY - JOUR
T1 - Estimating CO2Solubility in Aqueous Na+-K+-Mg2+-Ca2+-Cl--SO42-Solutions with Electrolyte NRTL-PC-SAFT Model
AU - Kaur, Harnoor
AU - Abedi, Samira
AU - Chen, Chau Chyun
N1 - Funding Information:
Funding support is provided by the U.S. Department of Energy under the Grant DE-EE0007888. The authors gratefully acknowledge the financial support of the Jack Maddox Distinguished Engineering Chair Professorship in Sustainable Energy sponsored by the J.F Maddox Foundation.
Publisher Copyright:
© 2022 American Chemical Society. All rights reserved.
PY - 2022/8/11
Y1 - 2022/8/11
N2 - A comprehensive thermodynamic model based on electrolyte nonrandom two-liquid (eNRTL) equation in conjunction with PC-SAFT equation-of-state has been developed for estimating CO2solubility in aqueous solutions of NaCl, KCl, MgCl2, CaCl2, Na2SO4, K2SO4, MgSO4and their mixtures. The eNRTL binary interaction parameters for CO2-electrolyte pairs are regressed using the experimental vapor-liquid equilibrium data for the CO2+ H2O + salt ternary systems in the temperature range of 273.15 to 433.15 K, and pressure up to 71 MPa. The model gives an accurate representation of the phase behavior including the salting-out effect of different electrolytes for CO2solubility covering temperatures up to 473.15 K, pressures up to 120 MPa, and salt concentrations up to saturation. With the CO2-H2O interaction parameters set to zero, and the H2O-electrolyte, CO2-electrolyte and electrolyte-electrolyte pair interaction parameters identified, the model is capable of accurately estimating CO2solubility in aqueous brine solutions without regressing any additional interaction parameters.
AB - A comprehensive thermodynamic model based on electrolyte nonrandom two-liquid (eNRTL) equation in conjunction with PC-SAFT equation-of-state has been developed for estimating CO2solubility in aqueous solutions of NaCl, KCl, MgCl2, CaCl2, Na2SO4, K2SO4, MgSO4and their mixtures. The eNRTL binary interaction parameters for CO2-electrolyte pairs are regressed using the experimental vapor-liquid equilibrium data for the CO2+ H2O + salt ternary systems in the temperature range of 273.15 to 433.15 K, and pressure up to 71 MPa. The model gives an accurate representation of the phase behavior including the salting-out effect of different electrolytes for CO2solubility covering temperatures up to 473.15 K, pressures up to 120 MPa, and salt concentrations up to saturation. With the CO2-H2O interaction parameters set to zero, and the H2O-electrolyte, CO2-electrolyte and electrolyte-electrolyte pair interaction parameters identified, the model is capable of accurately estimating CO2solubility in aqueous brine solutions without regressing any additional interaction parameters.
UR - http://www.scopus.com/inward/record.url?scp=85127922362&partnerID=8YFLogxK
U2 - 10.1021/acs.jced.1c00950
DO - 10.1021/acs.jced.1c00950
M3 - Article
AN - SCOPUS:85127922362
SN - 0021-9568
VL - 67
SP - 1932
EP - 1950
JO - Journal of Chemical and Engineering Data
JF - Journal of Chemical and Engineering Data
IS - 8
ER -