Application of Kirkwood-Buff theory of liquid mixtures to water-butanol system
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The various integrals over the pair correlation functions GAA' GWW, and GAW were calculated for the t-butanol(A)-water(W) system (0 to 8 mole % alcohol) at 25°C by utilizing the thermodynamic quantities, the isothermal compressibility, partial molal volumes, and vapour pressure and by the application of an inverse procedure for Kirkwood-Buff theory of solutions as suggested by Ben-Naim. It is observed that as functions of concentration GAA', GAW, and GWW have extrema in the concentration range studied. The results are interpreted on the basis of structural changes of solvent water. The behavior of GAA in the concentration range of 0 to 4 % of t-butanol indicates that the strength of hydrophobic interactions decreases with concentration as xA increases from 0 to 0.04.
Key wordsKirkwood-Buff theory water-t-butanol mixtures hydrophobic hydration negative deviation from Raoult's Law
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