Details

Autor(en) / Beteiligte

• Sun, Rui
• Dubessy, Jean

Titel

Prediction of vaporaliquid equilibrium and PVTx properties of geological fluid system with SAFT-LJ EOS including multi-polar contribution. Part II: Application to H2OaNaCl and CO2aH2OaNaCl System

Ist Teil von

• Geochimica et cosmochimica acta, 2012-07, Vol.88, p.130-145

Erscheinungsjahr

2012

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• The SAFT-LJ equation of state improved by Sun and Dubessy (2010) can represent the vaporaliquid equilibrium and PVTx properties of the CO2aH2O system over a wide PaT range because it accounts for the energetic contribution of the main types of molecular interactions in terms of reliable molecular based models. Assuming that NaCl fully dissociates into individual ions (spherical Na+ and Cla) in water and adopting the restricted primitive model of mean spherical approximation to account for the energetic contribution due to long-range electrostatic forces between ions, this study extends the improved SAFT-LJ EOS to the H2OaNaCl and the CO2aH2OaNaCl systems at temperatures below 573 K. The EOS parameters for the interactions between ion and ion and between ion and water were determined from the mean ionic activity coefficient data and the density data of the H2OaNaCl system. The parameters for the interactions between ion and CO2 were evaluated from CO2 solubility data of the CO2aH2OaNaCl system. Comparison with the experimental data shows that this model can predict the mean ionic activity coefficient, osmotic coefficient, saturation pressure, and density of aqueous NaCl solution and can predict the vaporaliquid equilibrium and PVTx properties of the CO2aH2OaNaCl system over the range from 273 to 573 K, from 0 to 1000 bar, and from 0 to 6 mol/kg NaCl with high accuracy.