TY - JOUR
T1 - Thermodynamic modeling of aqueous Ca2+- Na+ - K+ - Cl- quaternary system
AU - Tanveer, Sheik
AU - Chen, Chau Chyun
N1 - Publisher Copyright:
© 2015 Elsevier B.V.
Copyright:
Copyright 2015 Elsevier B.V., All rights reserved.
PY - 2016/2/15
Y1 - 2016/2/15
N2 - We present a comprehensive thermodynamic model for the aqueous Ca2+ - Na+ - K+ - Cl- quaternary system with electrolyte concentrations up to saturation and temperatures up to 473 K. This work is part of a larger effort to develop an engineering thermodynamic model for high salinity produced water in oil and gas production. Built on the thermodynamic framework of symmetric electrolyte Non-Random Two Liquid (eNRTL) theory, the model correlates composition dependency of the solution nonideality with two binary interaction parameters for each of the molecule-electrolyte pairs and the electrolyte-electrolyte pairs present in the system. The model further correlates temperature dependency of the binary parameters through a Gibbs-Helmholtz type equation with three temperature coefficients. We identify the binary parameters and their temperature coefficients for the (Ca2+ Cl-):H2O pair, the (Ca2+ Cl-):(Na+ Cl-) pair and the (Ca2+ Cl-):(K+ Cl-) pair by regressing experimental phase equilibrium, calorimetric and salt solubility data. These binary parameters are then integrated with published binary parameters for other subsystems present in the quaternary system. Together the eNRTL model and the model parameters offer a comprehensive thermodynamic model for the quaternary system; and it shows excellent agreement with literature data for the quaternary system and its subsystems.
AB - We present a comprehensive thermodynamic model for the aqueous Ca2+ - Na+ - K+ - Cl- quaternary system with electrolyte concentrations up to saturation and temperatures up to 473 K. This work is part of a larger effort to develop an engineering thermodynamic model for high salinity produced water in oil and gas production. Built on the thermodynamic framework of symmetric electrolyte Non-Random Two Liquid (eNRTL) theory, the model correlates composition dependency of the solution nonideality with two binary interaction parameters for each of the molecule-electrolyte pairs and the electrolyte-electrolyte pairs present in the system. The model further correlates temperature dependency of the binary parameters through a Gibbs-Helmholtz type equation with three temperature coefficients. We identify the binary parameters and their temperature coefficients for the (Ca2+ Cl-):H2O pair, the (Ca2+ Cl-):(Na+ Cl-) pair and the (Ca2+ Cl-):(K+ Cl-) pair by regressing experimental phase equilibrium, calorimetric and salt solubility data. These binary parameters are then integrated with published binary parameters for other subsystems present in the quaternary system. Together the eNRTL model and the model parameters offer a comprehensive thermodynamic model for the quaternary system; and it shows excellent agreement with literature data for the quaternary system and its subsystems.
KW - Aqueous electrolytes
KW - Calcium chloride
KW - Electrolyte NRTL model
KW - Solubility
KW - Thermodynamic properties
UR - http://www.scopus.com/inward/record.url?scp=84943645672&partnerID=8YFLogxK
U2 - 10.1016/j.fluid.2015.09.048
DO - 10.1016/j.fluid.2015.09.048
M3 - Article
AN - SCOPUS:84943645672
VL - 409
SP - 193
EP - 206
JO - Fluid Phase Equilibria
JF - Fluid Phase Equilibria
SN - 0378-3812
ER -