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An improved model for CO2 solubility in aqueous Na+–Cl−–SO42− systems up to 473.15 K and 40 MPa

Authors :
Marc Parmentier
Adeline Lach
Arnault Lassin
Pedro F. dos Santos
Marion Ducousso
Laurent André
Pierre Cézac
François Contamine
LABORATOIRE DE THERMIQUE ENERGETIQUE ET PROCEDES (EA1932) (LATEP)
Université de Pau et des Pays de l'Adour (UPPA)
Institut des Sciences de la Terre d'Orléans - UMR7327 (ISTO)
Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC)
Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris
Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris
Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)
Milieux Poreux - UMR7327
Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences de l'Univers (INSU - CNRS)-Université d'Orléans (UO)-Centre National de la Recherche Scientifique (CNRS)-Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)-Observatoire des Sciences de l'Univers en région Centre (OSUC)
Bureau de Recherches Géologiques et Minières (BRGM) (BRGM)
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.

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⟩