The mobile order theory versus UNIFAC and regular solution theory-derived models for predicting the solubility of solid substances.
The theory of mobile order of Huyskens is tested against the UNIFAC model, the regular solution model, and the extended Hildebrand or Hansen solubility approaches in predicting the solubility of naphthalene in both polar and nonpolar solvents at 40 degrees C. While all models correctly predict the solubility in nonpolar and moderately polar solvents, a substantial improvement is achieved by Huyskens' model, particularly in alcohols. This improvement originates from the correct description of the entropy effects as well as of the hydrophobic effects in the particular case of the alcohols. The model necessitates the knowledge of only one parameter not known a priori, i.e., the naphthalene modified nonspecific solubility parameter, the value of which is deduced from its solubility in hexane.
Ruelle
P
P
Institute of Pharmaceutical Analysis, School of Pharmacy, University of Lausanne, Switzerland.
Buchmann
M
M
Hô
N T
NT
Kesselring
U W
UW
D008956:Models, Chemical; D009281:Naphthalenes / Q000737:chemistry*; D012995:Solubility; D012997:Solvents; D013696:Temperature
D009281:Naphthalenes; D012997:Solvents; C031721:naphthalene