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An improved model for CO2 solubility in aqueous Na+–Cl−–SO42− systems up to 473.15 K and 40 MPa
- Source :
- Chemical Geology, Chemical Geology, Elsevier, 2021, 582, pp.120443. ⟨10.1016/j.chemgeo.2021.120443⟩
- Publication Year :
- 2021
- Publisher :
- HAL CCSD, 2021.
-
Abstract
- International audience; This article contributes to the development of a thermodynamic model for simulating CO2 solubility in pure water and aqueous brines under different conditions of temperature, pressure and ionic strength. The modeling activity-fugacity (γ-φ) approach allows calculating CO2 solubility, based on the Pitzer electrolyte theory for activity coefficient and Peng-Robinson's equation of state for fugacity. The present work proposes a new set of Pitzer interaction parameters through the set of CO2 solubility data in saline systems such as CO2-H2O-NaCl and CO2-H2O-Na2SO4. The determined model is capable of covering a wide T − P − I range (273.15–473.15 K, 0.1–40 MPa and 0–6 mol/kg). Average absolute deviation of CO2 solubility is about 5% compared to a large number of experimental data available (more than 700 data analyzed). New experimental solubility data for the CO2-H2O-NaCl-Na2SO4 system were also acquired in this study (303.15–423.15 K, 1.5–20 MPa and 0–6 mol/kg) to test the model's capacity: it is able to describe the CO2 solubility in aqueous salt mixtures without any further optimizations of interaction parameters.
- Subjects :
- Activity coefficient
Equation of state
Work (thermodynamics)
Aqueous solution
Thermodynamics
Geology
02 engineering and technology
Electrolyte
010402 general chemistry
01 natural sciences
6. Clean water
0104 chemical sciences
020401 chemical engineering
Geochemistry and Petrology
Ionic strength
[SDU]Sciences of the Universe [physics]
Fugacity
0204 chemical engineering
Solubility
Thermodynamic modeling
CO2 solubility
Pitzer interaction parameters - activity coefficient
Subjects
Details
- Language :
- English
- ISSN :
- 00092541
- Database :
- OpenAIRE
- Journal :
- Chemical Geology, Chemical Geology, Elsevier, 2021, 582, pp.120443. ⟨10.1016/j.chemgeo.2021.120443⟩
- Accession number :
- edsair.doi.dedup.....3498c19b16100e3b7fc324032fe4022d
- Full Text :
- https://doi.org/10.1016/j.chemgeo.2021.120443⟩