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Selected Works of Jared L. Anderson
Article
Linear Free Energy Relationship Correlations for Room Temperature Ionic Liquids: Revised Cation-Specific and Anion-Specific Equation Coefficients for Predictive Applications Covering a Much Larger Area of Chemical Space
Industrial and Engineering Chemistry Research (2009)
  • Laura M. Sprunger, University of North Texas
  • Jennifer Gibbs, University of North Texas
  • Amy Proctor, University of North Texas
  • William E. Acree, Jr., University of North Texas
  • Michael H. Abraham, University College London
  • Yunjing Meng, University of Toledo
  • Cong Yao, University of Toledo
  • Jared L. Anderson, University of Toledo
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Abstract

Previously reported ion-specific equation coefficients for both the Abraham general solvation model and Goss modified Abraham model are updated using recently measured activity coefficient, gas chromatographic retention factor, and solubility data for solutes dissolved in room temperature ionic liquids (RTILs). Reported for the first time are equation coefficients for 1-propyl-2,3-dimethylimidazolium cation, and octylsulfate and thiocyanate anions. In total nine sets of cation-specific and eight sets of anion-specific equation coefficients have been determined for each model. The derived correlations describe the 976 experimental gas-to-RTIL partition coefficients to within a standard deviation of 0.12 log units and the 955 experimental water-to-RTIL partitions to within a standard deviation of 0.15 log units.

Keywords
  • Abraham models,
  • chemical spaces,
  • chromatographic retentions,
  • equation coefficients,
  • linear free energy relationships,
  • partition coefficiencts,
  • room-temperature ionic liquids,
  • solubility datum,
  • solvation of liquids,
  • negative ions,
  • positive ions,
  • statistics
Disciplines
Publication Date
March 23, 2009
Publisher Statement
Reprinted (adapted) with permission from Industrial and Engineering Chemistry Research 48 (2009): 4145, doi: 10.1021/ie801898j. Copyright 2009 American Chemical Society.
Citation Information
Laura M. Sprunger, Jennifer Gibbs, Amy Proctor, William E. Acree, et al.. "Linear Free Energy Relationship Correlations for Room Temperature Ionic Liquids: Revised Cation-Specific and Anion-Specific Equation Coefficients for Predictive Applications Covering a Much Larger Area of Chemical Space" Industrial and Engineering Chemistry Research Vol. 48 Iss. 8 (2009)
Available at: http://works.bepress.com/jared_anderson/12/