Association models for alcohol-water mixtures |
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Authors: | A H Roux and J E Desnoyers |
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Institution: | (1) Laboratoire de Thermodynamique et Cinétique Chimique, Université de Clermont, Ferrand 2, 63170 Aubière, France;(2) Institut National de la Recherche Scientifique, C.P. 7500, G1V4C7 Ste FOY, Québec, Canada |
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Abstract: | Alcohol-water mixtures are often used as model systems for the study of hydrophobic interactions. In this respect, their thermodynamic
properties are of particular interest since precise data are available over the whole miscibility range and they lend themselves
readily to theoretical modelling. Three association models have been used to fit the volume data taken from the literature
for aqueous methonol, ethanol and n-propanol at various temperatures. A simple micellization equilibrium explains the general
trends but fails to fit the reduced excess volumes at both ends of the mole fraction scale. Better fits are obtained if interaction
parameters are introduced, but these two parameters cannot easily be rationalized. A double association model (one for the
alcohol and one for the water) gives the best fit and all the parameters have a physical significance. However, the parameters
extracted, e.g. aggregation numbers, and their trends with temperature are not always realistic. Despite their limitations,
these models illustrate well with the kind of avenues that can be explored to fit and interpret the experimental data of these
complex systems. |
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Keywords: | Chemical equilibrium model water-alcohol mixtures double association aggregation number binary mixtures |
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