Journal
FLUID PHASE EQUILIBRIA
Volume 265, Issue 1-2, Pages 104-111Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.fluid.2008.01.006
Keywords
room-temperature ionic liquids; partition coefficient; solubility; activity coefficient; linear free energy relationship; predictive method
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Linear free energy relationship (LFER) correlations have been obtained for describing the gas-to-RTIL (room-temperature ionic liquid) and water-to-RTIL partition coefficients based on both the Abraham solvation parameter model and the Abraham model as modified by Goss. Each derived correlation contains six cation-specific and six anion-specific equation coefficients that were determined through regression analyses. The derived equations correlated the observed gas-to-RTIL and water-to-RTIL partition coefficient data to within 0.10 and 0.14 log units, respectively. Both models were found to have identical predictive/descriptive abilities. The 8 sets of cation-specific and 4 sets of anion-specific equation coefficients can be combined to yield equations capable of predicting the partition coefficients of solutes in 32 different RTILs. Two computational methods are proposed for determining additional ion-specific coefficients once more experimental data become available. (c) 2008 Elsevier B.V. All rights reserved.
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