Method for Predicting Solubilities of Solids in Mixed Solvents
Publication: Research - peer-review › Journal article – Annual report year: 2009
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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.Publication: Research - peer-review › Journal article – Annual report year: 2009
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TY - JOUR
T1 - Method for Predicting Solubilities of Solids in Mixed Solvents
A1 - Ellegaard,Martin Dela
A1 - Abildskov,Jens
A1 - O'Connell,J. P.
AU - Ellegaard,Martin Dela
AU - Abildskov,Jens
AU - O'Connell,J. P.
PB - John/Wiley & Sons, Inc.
PY - 2009
Y1 - 2009
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.
AB - 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.
KW - solid solutes
KW - mixed solvents
KW - excess solubility
KW - prediction
KW - correlation
KW - fluctuation solution theory
U2 - 10.1002/aic.11759
DO - 10.1002/aic.11759
JO - AIChE Journal
JF - AIChE Journal
SN - 0001-1541
IS - 5
VL - 55
SP - 1256
EP - 1264
ER -