Modeling Tetra-n-butyl ammonium halides aqueous solutions with the electrolyte cubic plus association 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

This work presents the thermodynamic modeling of the fluid phases of Tetra-n-butyl ammonium halides aqueous solutions with the electrolyte Cubic-Plus-Association (e-CPA) Equation of State (EOS). The adjustable model parameters are obtained by fitting the experimental data of mean ionic activity coefficients and osmotic coefficients. Several other thermodynamic properties of the aqueous solutions, such as relative static permittivity, liquid density and saturation pressure, are subsequently predicted by the e-CPA EOS. The results of Tetra-n-butyl ammonium bromide aqueous solution show that the model can satisfactorily correlate the mean ionic activity coefficients and osmotic coefficients with the percentage average absolute deviations being 7.2% and 5.9%. The model overpredicts the liquid density with a deviation of 9.2%, while it can correlate the liquid density within 0.2% with a volume translation parameter. In order to have a more complete picture of the capabilities and limitations of the model, the consistencies of experimental data, parameter estimation approaches and the ion sizes are extensively analyzed and discussed.
Original languageEnglish
JournalFluid Phase Equilibria
Volume486
Pages (from-to)37 - 47
ISSN0378-3812
DOIs
Publication statusPublished - 2019

Keywords

  • e-CPA
  • TBAB
  • Semi-clathrate hydrate
  • Relative static permittivity
  • Thermodynamic properties

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