Method for Predicting Solubilities of Solids in Mixed Solvents

Martin Dela Ellegaard, Jens Abildskov, J. P. O'Connell

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Abstract

A method is presented for predicting solubilities of solid solutes in mixed solvents, based on excess Henry's law constants. The basis is statistical mechanical fluctuation solution theory for composition derivatives of solute/solvent infinite dilution activity coefficients. Suitable approximations are made for a single parameter characterizing solute/solvent interactions. Comparisons with available data show that the method is successful in describing a variety of observed mixed solvent solubility behavior, including nearly ideal systems with small excess solubilities, systems with solute-independent excess solubilities, and systems deviating from these simple rules. Successful predictions for new solvent mixtures cat? be made using limited data from other mixtures.
Original languageEnglish
JournalAIChE Journal
Volume55
Issue number5
Pages (from-to)1256-1264
ISSN0001-1541
DOIs
Publication statusPublished - 2009

Keywords

  • solid solutes
  • mixed solvents
  • excess solubility
  • prediction
  • correlation
  • fluctuation solution theory

Cite this

Ellegaard, Martin Dela ; Abildskov, Jens ; O'Connell, J. P. / Method for Predicting Solubilities of Solids in Mixed Solvents. In: AIChE Journal. 2009 ; Vol. 55, No. 5. pp. 1256-1264.
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Method for Predicting Solubilities of Solids in Mixed Solvents. / Ellegaard, Martin Dela; Abildskov, Jens; O'Connell, J. P.

In: AIChE Journal, Vol. 55, No. 5, 2009, p. 1256-1264.

Research output: Contribution to journalJournal articleResearchpeer-review

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AU - Abildskov, Jens

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N2 - A method is presented for predicting solubilities of solid solutes in mixed solvents, based on excess Henry's law constants. The basis is statistical mechanical fluctuation solution theory for composition derivatives of solute/solvent infinite dilution activity coefficients. Suitable approximations are made for a single parameter characterizing solute/solvent interactions. Comparisons with available data show that the method is successful in describing a variety of observed mixed solvent solubility behavior, including nearly ideal systems with small excess solubilities, systems with solute-independent excess solubilities, and systems deviating from these simple rules. Successful predictions for new solvent mixtures cat? be made using limited data from other mixtures.

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KW - mixed solvents

KW - excess solubility

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KW - correlation

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