Thermodynamic modeling of gas solubility in aqueous solutions of quaternary ammonium salts with the e-CPA equation of state

Li Sun, Xiaodong Liang, Nicolas von Solms, Georgios M. Kontogeorgis*

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

The study of gas solubility in aqueous electrolyte solutions is important, e.g. for hydrate applications, and it is also a challenging task, as metal halide salts show salting-out effects on gas in water, while some quaternary ammonium salts (QAS) show salting-in effects. This work presents a modeling study of gas solubility in aqueous solutions of several QAS (tetra-n-methyl-ammonium bromide, tetra-n-ethyl-ammonium bromide, tetra-n-propyl-ammonium bromide and tetra-n-butyl ammonium bromide) with the electrolyte Cubic-Plus-Association Equation of State (e-CPA). The ion size and ion-water interaction parameters are obtained by fitting the experimental data of mean ionic activity coefficients and osmotic coefficients of corresponding binary mixtures. The results show that e-CPA can reasonably correlate the mean ionic activity coefficients of QAS in aqueous solutions. The ion-gas interaction parameters are obtained by fitting the experimental data of gas solubility and the results show that e-CPA can correlate the gas solubilities (for nitrogen, carbon dioxide, methane and ethane) reasonably well from a quantitative point of view. For example, e-CPA gives deviations of 9.2% and 5.7% for the solubilities of carbon dioxide and methane in TBAB, respectively. The salting-in and salting-out effects and the influencing factors are also studied.
Original languageEnglish
Article number112423
JournalFluid Phase Equilibria
Volume507
Pages (from-to)11
ISSN0378-3812
DOIs
Publication statusPublished - 2020

Keywords

  • e-CPA
  • Quaternary ammonium salts
  • Gas solubility
  • Salt effects

Cite this

@article{f520e4f09f8d479c8c8c6d514909beae,
title = "Thermodynamic modeling of gas solubility in aqueous solutions of quaternary ammonium salts with the e-CPA equation of state",
abstract = "The study of gas solubility in aqueous electrolyte solutions is important, e.g. for hydrate applications, and it is also a challenging task, as metal halide salts show salting-out effects on gas in water, while some quaternary ammonium salts (QAS) show salting-in effects. This work presents a modeling study of gas solubility in aqueous solutions of several QAS (tetra-n-methyl-ammonium bromide, tetra-n-ethyl-ammonium bromide, tetra-n-propyl-ammonium bromide and tetra-n-butyl ammonium bromide) with the electrolyte Cubic-Plus-Association Equation of State (e-CPA). The ion size and ion-water interaction parameters are obtained by fitting the experimental data of mean ionic activity coefficients and osmotic coefficients of corresponding binary mixtures. The results show that e-CPA can reasonably correlate the mean ionic activity coefficients of QAS in aqueous solutions. The ion-gas interaction parameters are obtained by fitting the experimental data of gas solubility and the results show that e-CPA can correlate the gas solubilities (for nitrogen, carbon dioxide, methane and ethane) reasonably well from a quantitative point of view. For example, e-CPA gives deviations of 9.2{\%} and 5.7{\%} for the solubilities of carbon dioxide and methane in TBAB, respectively. The salting-in and salting-out effects and the influencing factors are also studied.",
keywords = "e-CPA, Quaternary ammonium salts, Gas solubility, Salt effects",
author = "Li Sun and Xiaodong Liang and Solms, {Nicolas von} and Kontogeorgis, {Georgios M.}",
year = "2020",
doi = "10.1016/j.fluid.2019.112423",
language = "English",
volume = "507",
pages = "11",
journal = "Fluid Phase Equilibria",
issn = "0378-3812",
publisher = "Elsevier",

}

TY - JOUR

T1 - Thermodynamic modeling of gas solubility in aqueous solutions of quaternary ammonium salts with the e-CPA equation of state

AU - Sun, Li

AU - Liang, Xiaodong

AU - Solms, Nicolas von

AU - Kontogeorgis, Georgios M.

PY - 2020

Y1 - 2020

N2 - The study of gas solubility in aqueous electrolyte solutions is important, e.g. for hydrate applications, and it is also a challenging task, as metal halide salts show salting-out effects on gas in water, while some quaternary ammonium salts (QAS) show salting-in effects. This work presents a modeling study of gas solubility in aqueous solutions of several QAS (tetra-n-methyl-ammonium bromide, tetra-n-ethyl-ammonium bromide, tetra-n-propyl-ammonium bromide and tetra-n-butyl ammonium bromide) with the electrolyte Cubic-Plus-Association Equation of State (e-CPA). The ion size and ion-water interaction parameters are obtained by fitting the experimental data of mean ionic activity coefficients and osmotic coefficients of corresponding binary mixtures. The results show that e-CPA can reasonably correlate the mean ionic activity coefficients of QAS in aqueous solutions. The ion-gas interaction parameters are obtained by fitting the experimental data of gas solubility and the results show that e-CPA can correlate the gas solubilities (for nitrogen, carbon dioxide, methane and ethane) reasonably well from a quantitative point of view. For example, e-CPA gives deviations of 9.2% and 5.7% for the solubilities of carbon dioxide and methane in TBAB, respectively. The salting-in and salting-out effects and the influencing factors are also studied.

AB - The study of gas solubility in aqueous electrolyte solutions is important, e.g. for hydrate applications, and it is also a challenging task, as metal halide salts show salting-out effects on gas in water, while some quaternary ammonium salts (QAS) show salting-in effects. This work presents a modeling study of gas solubility in aqueous solutions of several QAS (tetra-n-methyl-ammonium bromide, tetra-n-ethyl-ammonium bromide, tetra-n-propyl-ammonium bromide and tetra-n-butyl ammonium bromide) with the electrolyte Cubic-Plus-Association Equation of State (e-CPA). The ion size and ion-water interaction parameters are obtained by fitting the experimental data of mean ionic activity coefficients and osmotic coefficients of corresponding binary mixtures. The results show that e-CPA can reasonably correlate the mean ionic activity coefficients of QAS in aqueous solutions. The ion-gas interaction parameters are obtained by fitting the experimental data of gas solubility and the results show that e-CPA can correlate the gas solubilities (for nitrogen, carbon dioxide, methane and ethane) reasonably well from a quantitative point of view. For example, e-CPA gives deviations of 9.2% and 5.7% for the solubilities of carbon dioxide and methane in TBAB, respectively. The salting-in and salting-out effects and the influencing factors are also studied.

KW - e-CPA

KW - Quaternary ammonium salts

KW - Gas solubility

KW - Salt effects

U2 - 10.1016/j.fluid.2019.112423

DO - 10.1016/j.fluid.2019.112423

M3 - Journal article

VL - 507

SP - 11

JO - Fluid Phase Equilibria

JF - Fluid Phase Equilibria

SN - 0378-3812

M1 - 112423

ER -