Abstract
The Kirkwood−Buff theory of solution was used to investigate the formation of clusters in aqueous alcohol solutions. The correlation volume (volume in which the composition differs from the bulk one) was calculated for the systems 1-propanol−water and tert-butyl alcohol−water and compared with the sizes of clusters determined by various physical techniques. The calculations indicated that two types of clusters, alcohol- and water-rich clusters, are present in the solutions. Their sizes, which depend on composition in a similar way, exhibit maxima in the water-rich region. The calculated values are in a satisfactory agreement with experiment. The composition inside the clusters (the local composition) was calculated as a function of the correlation volume for dilute aqueous methanol, ethanol, propanols, and tert-butyl alcohol solutions. The results were compared with the local compositions provided by the Wilson and NRTL equations.
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