Modeling of Gas Solubility Using the Electrolyte Cubic Plus Association Equation of State

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

The prediction of the solubilities of carbon dioxide and methane in aqueous solutions of inorganic salts is important for geological carbon storage, enhanced oil recovery, gas hydrate formation, and seawater desalination. Few electrolyte equations of state can be used for accurate gas solubility calculations over wide ranges of temperature, pressure, and salt molality. This work presents a thermodynamic modeling study on the solubilities of carbon dioxide and methane in aqueous solutions of several inorganic salts with the electrolyte cubic plus association equation of state. The binary interaction parameters between ions and gas are obtained by fitting the experimental data of gas solubility in single-salt solutions. It is shown that the equation of state can satisfactorily correlate the gas solubility over a wide range of conditions, with deviation less than the reported experimental uncertainties (7%) for most systems. The equation of state is then used to predict the gas solubility in multi-salt solutions, and a satisfactory performance is achieved. The salting-out effects resulting from ion size, charge density, and salt concentration are also extensively discussed.
Original languageEnglish
JournalIndustrial and Engineering Chemistry Research
Volume58
Issue number37
Pages (from-to)17555-17567
ISSN0888-5885
DOIs
Publication statusPublished - 2019

Cite this

@article{298fae29a27e4d3dbfddda918da7bc02,
title = "Modeling of Gas Solubility Using the Electrolyte Cubic Plus Association Equation of State",
abstract = "The prediction of the solubilities of carbon dioxide and methane in aqueous solutions of inorganic salts is important for geological carbon storage, enhanced oil recovery, gas hydrate formation, and seawater desalination. Few electrolyte equations of state can be used for accurate gas solubility calculations over wide ranges of temperature, pressure, and salt molality. This work presents a thermodynamic modeling study on the solubilities of carbon dioxide and methane in aqueous solutions of several inorganic salts with the electrolyte cubic plus association equation of state. The binary interaction parameters between ions and gas are obtained by fitting the experimental data of gas solubility in single-salt solutions. It is shown that the equation of state can satisfactorily correlate the gas solubility over a wide range of conditions, with deviation less than the reported experimental uncertainties (7{\%}) for most systems. The equation of state is then used to predict the gas solubility in multi-salt solutions, and a satisfactory performance is achieved. The salting-out effects resulting from ion size, charge density, and salt concentration are also extensively discussed.",
author = "Li Sun and Kontogeorgis, {Georgios M.} and {von Solms}, Nicolas and Xiaodong Liang",
year = "2019",
doi = "10.1021/acs.iecr.9b03335",
language = "English",
volume = "58",
pages = "17555--17567",
journal = "Industrial & Engineering Chemistry Research",
issn = "0888-5885",
publisher = "American Chemical Society",
number = "37",

}

Modeling of Gas Solubility Using the Electrolyte Cubic Plus Association Equation of State. / Sun, Li; Kontogeorgis, Georgios M.; von Solms, Nicolas; Liang, Xiaodong.

In: Industrial and Engineering Chemistry Research, Vol. 58, No. 37, 2019, p. 17555-17567.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Modeling of Gas Solubility Using the Electrolyte Cubic Plus Association Equation of State

AU - Sun, Li

AU - Kontogeorgis, Georgios M.

AU - von Solms, Nicolas

AU - Liang, Xiaodong

PY - 2019

Y1 - 2019

N2 - The prediction of the solubilities of carbon dioxide and methane in aqueous solutions of inorganic salts is important for geological carbon storage, enhanced oil recovery, gas hydrate formation, and seawater desalination. Few electrolyte equations of state can be used for accurate gas solubility calculations over wide ranges of temperature, pressure, and salt molality. This work presents a thermodynamic modeling study on the solubilities of carbon dioxide and methane in aqueous solutions of several inorganic salts with the electrolyte cubic plus association equation of state. The binary interaction parameters between ions and gas are obtained by fitting the experimental data of gas solubility in single-salt solutions. It is shown that the equation of state can satisfactorily correlate the gas solubility over a wide range of conditions, with deviation less than the reported experimental uncertainties (7%) for most systems. The equation of state is then used to predict the gas solubility in multi-salt solutions, and a satisfactory performance is achieved. The salting-out effects resulting from ion size, charge density, and salt concentration are also extensively discussed.

AB - The prediction of the solubilities of carbon dioxide and methane in aqueous solutions of inorganic salts is important for geological carbon storage, enhanced oil recovery, gas hydrate formation, and seawater desalination. Few electrolyte equations of state can be used for accurate gas solubility calculations over wide ranges of temperature, pressure, and salt molality. This work presents a thermodynamic modeling study on the solubilities of carbon dioxide and methane in aqueous solutions of several inorganic salts with the electrolyte cubic plus association equation of state. The binary interaction parameters between ions and gas are obtained by fitting the experimental data of gas solubility in single-salt solutions. It is shown that the equation of state can satisfactorily correlate the gas solubility over a wide range of conditions, with deviation less than the reported experimental uncertainties (7%) for most systems. The equation of state is then used to predict the gas solubility in multi-salt solutions, and a satisfactory performance is achieved. The salting-out effects resulting from ion size, charge density, and salt concentration are also extensively discussed.

U2 - 10.1021/acs.iecr.9b03335

DO - 10.1021/acs.iecr.9b03335

M3 - Journal article

VL - 58

SP - 17555

EP - 17567

JO - Industrial & Engineering Chemistry Research

JF - Industrial & Engineering Chemistry Research

SN - 0888-5885

IS - 37

ER -