TY - JOUR
T1 - Thermodynamic modeling of calcium carbonate scale precipitation
T2 - aqueous Na+-Ca2+-Cl–-HCO3–-CO32–-CO2 system
AU - Chen, Tianyu
AU - Honarparvar, Soraya
AU - Reible, Danny
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 Donovan Maddox Distinguished Engineering Chaired Professorship and the Jack Maddox Distinguished Engineering Chair Professorship in Sustainable Energy sponsored by the J.F Maddox Foundation. The careful review of the manuscript by Dr. Sheik Tanveer is acknowledged.
Publisher Copyright:
© 2021 Elsevier B.V.
PY - 2022/1/15
Y1 - 2022/1/15
N2 - To allow for accurate calculations of calcium carbonate scaling in highly saline produced waters, we present a comprehensive thermodynamic model based on the electrolyte nonrandom two-liquid (eNRTL) activity coefficient equation for the aqueous Na+-Ca2+-Cl–-HCO3–-CO32–-CO2 system. The eNRTL binary interaction parameters for the H2O:(Na+-CO32–) pair, the H2O:(Na+-HCO3–) pair, the (Na+-Cl–):(Na+-CO32–) pair, and the (Na+-Cl–):(Na+-HCO3–) pair are identified in this work via the regression of thermodynamic, calorimetric, and phase equilibria experimental data. The binary interaction parameters associated with the H2O:(Na+-Cl–) pair, the CO2:(Na+-Cl–) pair, the H2O:(Ca2+-Cl–) pair, and the (Na+-Cl–):(Ca2+-Cl–) pair are retrieved from the literature. The remaining binary interaction parameters are retrieved from Aspen Plus or set to zero. In addition, the solubility product constants are identified for Na2CO3•10H2O(s), Na2CO3•7H2O(s), Na2CO3•H2O(s), Na2CO3•NaHCO3•2H2O(s), Na2CO3•3NaHCO3(s), and CaCO3(s) via regression of solubility data. The model is capable of accurately calculating all phase equilibria and calorimetric properties at temperatures up to 473.15 K and salt concentrations up to saturation.
AB - To allow for accurate calculations of calcium carbonate scaling in highly saline produced waters, we present a comprehensive thermodynamic model based on the electrolyte nonrandom two-liquid (eNRTL) activity coefficient equation for the aqueous Na+-Ca2+-Cl–-HCO3–-CO32–-CO2 system. The eNRTL binary interaction parameters for the H2O:(Na+-CO32–) pair, the H2O:(Na+-HCO3–) pair, the (Na+-Cl–):(Na+-CO32–) pair, and the (Na+-Cl–):(Na+-HCO3–) pair are identified in this work via the regression of thermodynamic, calorimetric, and phase equilibria experimental data. The binary interaction parameters associated with the H2O:(Na+-Cl–) pair, the CO2:(Na+-Cl–) pair, the H2O:(Ca2+-Cl–) pair, and the (Na+-Cl–):(Ca2+-Cl–) pair are retrieved from the literature. The remaining binary interaction parameters are retrieved from Aspen Plus or set to zero. In addition, the solubility product constants are identified for Na2CO3•10H2O(s), Na2CO3•7H2O(s), Na2CO3•H2O(s), Na2CO3•NaHCO3•2H2O(s), Na2CO3•3NaHCO3(s), and CaCO3(s) via regression of solubility data. The model is capable of accurately calculating all phase equilibria and calorimetric properties at temperatures up to 473.15 K and salt concentrations up to saturation.
KW - Calcium carbonate scaling
KW - High saline produced water
KW - Thermodynamic modeling
KW - eNRTL model
UR - http://www.scopus.com/inward/record.url?scp=85117831031&partnerID=8YFLogxK
U2 - 10.1016/j.fluid.2021.113263
DO - 10.1016/j.fluid.2021.113263
M3 - Article
AN - SCOPUS:85117831031
SN - 0378-3812
VL - 552
JO - Fluid Phase Equilibria
JF - Fluid Phase Equilibria
M1 - 113263
ER -