期刊
JOURNAL OF MOLECULAR LIQUIDS
卷 140, 期 1-3, 页码 61-67出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.molliq.2008.01.005
关键词
drugs; PAHs; IKBI method; QLQC method; preferential solvation; solubility
The preferential solvation parameters, i.e., the differences between the local and bulk mole fractions of the solvents in solutions of certain drugs and polycyclic aromatic hydrocarbons (PAHs) are derived from their solubilities in binary solvent mixtures by means of the inverse Kirkwood-Buff integral (IKBI) and the quasi-lattice quasi-chemical (QLQC) methods. The solutes include caffeine, niflumic acid, diazepam, benzocaine, phenacetin, paracetamol, nalidixic acid, anthracene, and tr-stilbene and both aqueous and non-aqueous mixtures are considered. The findings are rationalized in terms of the interactions between the solute and solvents and the solvent components among themselves. (c) 2008 Elsevier B.V All rights reserved.
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