An equation of state for electrolyte aqueous solution is developed by treating the ion-ion electrostatic and ion-solvent molecule interactions with primitive MSA and perturbation theory, respectively. The effect of th...An equation of state for electrolyte aqueous solution is developed by treating the ion-ion electrostatic and ion-solvent molecule interactions with primitive MSA and perturbation theory, respectively. The effect of the dielectric constant on the ionic chemical potential and the calculation accuracy of ionic mean activity coefficients for 2∶1 and 1∶1 type halide aqueous solution are discussed.By taking ionic Pauling diameter as ionic hard sphere diameter for anions and treating the cation hard sphere diameter as ionic strength dependent, the equation can be used to calculate ionic activity coefficients in the moderate concentration range with good accuracy.展开更多
The equation of state for aqueous electrolytes based on perturbation theory is established. By using the water molecular parameters and Pauling diameters of canons and anions without any additional parameters, the den...The equation of state for aqueous electrolytes based on perturbation theory is established. By using the water molecular parameters and Pauling diameters of canons and anions without any additional parameters, the densities of 9 aqueous electrolyte systems (NaCl, CaCl2,KCl, LiCl, BaCl2, MgCl2, NaBr, Na2SO4 and MgSO4) at high pressure and temperature are predicted. The predicted accuracy of densities is satisfactory. The accuracy can be improved by using the fitted canon diameter instead of Pauling diameters.展开更多
文摘An equation of state for electrolyte aqueous solution is developed by treating the ion-ion electrostatic and ion-solvent molecule interactions with primitive MSA and perturbation theory, respectively. The effect of the dielectric constant on the ionic chemical potential and the calculation accuracy of ionic mean activity coefficients for 2∶1 and 1∶1 type halide aqueous solution are discussed.By taking ionic Pauling diameter as ionic hard sphere diameter for anions and treating the cation hard sphere diameter as ionic strength dependent, the equation can be used to calculate ionic activity coefficients in the moderate concentration range with good accuracy.
文摘The equation of state for aqueous electrolytes based on perturbation theory is established. By using the water molecular parameters and Pauling diameters of canons and anions without any additional parameters, the densities of 9 aqueous electrolyte systems (NaCl, CaCl2,KCl, LiCl, BaCl2, MgCl2, NaBr, Na2SO4 and MgSO4) at high pressure and temperature are predicted. The predicted accuracy of densities is satisfactory. The accuracy can be improved by using the fitted canon diameter instead of Pauling diameters.
