A group contribution method for predicting the solubility of mercury

Mansour Khalifa, Leo Lue

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

Mercury is a toxic and corrosive element, and understanding its partitioning within ecosystems and industrial processes is of vital importance. The solubility of mercury in normal alkanes, aromatics, water and alcohols is predicted using widely used Soave-Redlich-Kwong equation of state in combination with a group contribution method to estimate binary interaction parameters. The interaction parameters between elemental mercury and seven other molecular groups were determined in this work by fitting available solubility data for mercury. The solubility in the studied solvents was accurately described. This work allows the prediction of the thermodynamic behavior of elemental mercury in a wide variety of solvents, solvent mixtures, and operating conditions where experimental data are unavailable
LanguageEnglish
Pages76-84
Number of pages9
JournalFluid Phase Equilibria
Early online date28 Oct 2016
DOIs
Publication statusPublished - 2017

Fingerprint

Mercury
solubility
Solubility
Equations of state
Paraffins
Ecosystems
ecosystems
Alcohols
Caustics
Alkanes
Thermodynamics
alkanes
Poisons
alcohols
equations of state
interactions
thermodynamics
Water
estimates
predictions

Keywords

  • mercury
  • solubility
  • equation of state
  • group contribution method
  • Soave-Redlich-Kwong equation
  • binary interaction parameters
  • thermodynamic models
  • vapor-liquid equilibria
  • liquid-liquid equilibria

Cite this

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abstract = "Mercury is a toxic and corrosive element, and understanding its partitioning within ecosystems and industrial processes is of vital importance. The solubility of mercury in normal alkanes, aromatics, water and alcohols is predicted using widely used Soave-Redlich-Kwong equation of state in combination with a group contribution method to estimate binary interaction parameters. The interaction parameters between elemental mercury and seven other molecular groups were determined in this work by fitting available solubility data for mercury. The solubility in the studied solvents was accurately described. This work allows the prediction of the thermodynamic behavior of elemental mercury in a wide variety of solvents, solvent mixtures, and operating conditions where experimental data are unavailable",
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A group contribution method for predicting the solubility of mercury. / Khalifa, Mansour; Lue, Leo.

In: Fluid Phase Equilibria, 2017, p. 76-84.

Research output: Contribution to journalArticle

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