A chemical equilibrium model of solution behavior and solubility in the H-Na-K-Ca-OH-Cl-HSO4-SO4-H2O system to high concentration and temperature

Thermodynamic model for solution behavior and solid-liquid equilibrium in Na-Al(III)-Fe(III)-Cr(III)-Cl-H2O system at 25°C

“…It is calculated from temperature function given in [6,7]. Pure electrolyte parameters of Na-Cl interactions at 25 o C and solubility product of halite are calculated from temperature functions given in [6] and in acid-base model of [7].…”

“…The specific interaction approach for describing electrolyte solutions to high concentration introduced by Pitzer [1,2] represents a significant advance in physical chemistry that has facilitated the construction of accurate thermodynamic models. It was showed that the Pitzer approach could be expanded to accurately calculate solubilities in complex brines and to predict the behavior of natural fluids at standard temeperature [3][4][5], as well as at wide range of temperatures from 0 o to 300 o C [6][7][8][9] , and from extremely low [10][11][12] to very high concentration of solutions [8,9,35]. However, the existing Pitzer's databases have different limitations as the number of implemented solution species and precipitating solids, the temperature and concentration ranges of application.…”

Improvement of Thermodynamic Modeling of Calcium Carbonate and Calcium Sulfates at High Temperature and High Pressure in Mixed Electrolytes

“…Thus, theoretically the activity coefficient of a certain ion can be predicted using the Pitzer theory over wide ranges of temperature and pressures, as long as the solution compositions are known. Previously, Pitzer theory has been widely applied to solutions especially with high IS Pitzer et al 1984;He and Morse 1993;Kaasa 1998;Christov and Moller 2004).…”

“…For example, Pitzer et al (1984) have used measured osmotic and activity coefficients, the enthalpy, and the heat capacity to model the ion-specific interaction coefficients for Christov and Moller (2004) improved the Ca-Cl interaction coefficients using the solubility data and then apply these virial coefficients to predict the solubility of calcium chloride minerals (Christov and Moller 2004).…”

A coupled electrochemical–geochemical model of corrosion for mild steel in high-pressure CO2–saline environments

“…Christov and Møller (2004b) For 1-1, 1-2 and 2-1 type electrolytes, Pitzer's parameter B ϕ MX can be expressed as:…”