(142c) Thermodynamic Modeling of Aqueous Na+-K+-Ca2+-Cl?-HCO3?-CO32?-CO2 Solution
AIChE Spring Meeting and Global Congress on Process Safety
2021
2021 AIChE Virtual Spring Meeting and 17th Global Congress on Process Safety
Computing and Systems Technology Division
Process Modeling and Simulation II
Thursday, April 22, 2021 - 2:10pm to 2:30pm
Utilizing the electrolyte nonrandom two-liquid (eNRTL) theory [2], this model requires parameterization of eNRTL binary interaction parameters and physical properties parameters of pure components, i.e., water, ions, molecular solute, and precipitating salts. With the fully parameterized eNRTL model, thermodynamic properties including CO2 solubility and salt precipitation of the aqueous Na+-K+-Ca2+-Clâ-HCO3â-CO32â-CO2 solution and its subsystems can be accurately predicted. The model is validated against data at a temperature range of 273.15 â 473.15 K and electrolyte concentrations from infinitely dilution to salt saturation. The thermodynamic model developed is an indispensable tool to predict calcium carbonate scale deposition and support mass and energy balance calculations in desalination and water treatment processes. The model should also be an excellent tool for modeling CO2 capture with brine solutions.
References:
[1] S. Tanveer and C.-C. Chen, "A comprehensive thermodynamic model for high salinity produced waters," AIChE Journal, vol. 66, no. 1, pp. 1-10, 2020.
[2] Y. Song and C.-C. Chen, "Symmetric electrolyte nonrandom two-liquid activity coefficient model," Industrial & Engineering Chemistry Research, vol. 48, no. 16, pp. 7788-7797, 2009.