Qualitative Analysis of Clustering in Aqueous Alcohol Solutions. II

Abstract

Specific features of the clustering in aqueous solutions of monoatomic alcohols have been discussed. Main attention is focused on details of the clustering in water-ethanol solutions. The clustering degree is supposed to depend on the nteraction between ethanol and water molecules, as well as on the ordering degree of the H-bond network in water, which changes with the temperature and concentration of the alcohol. The elementary cluster volume is assumed to be smaller than the sum of the molecular volumes of components that form this cluster. The clustering degree in aqueous solutions of methanol and ethanol and its concentration and temperature dependences are determined.

Якісний Аналіз Кластеризації В Спиртово-Водних Розчинах III

“…2) when adding alcohol to water [8] or water to alcohol [9], the added substance becomes clustered only partially, which is described by the degrees of clustering of alcohol, 𝑍 a (𝑥, 𝑇 ), and water, 𝑍 w (𝑥, 𝑇 ); both of those parameters being functions of the concentration and temperature.…”

“…As was done earlier in works [8,9], the cluster composition will be determined using the parameter 𝑘 = 𝑁…”

“…The clustering in aqueous alcohol (methanol and ethanol) solutions in the concentration intervals 𝑥 𝑝 𝑥 1 [8] and 0 𝑥 𝑥 𝑝 [9], where 𝑥 𝑝 is the molar fraction of the alcohol corresponding to the special solution point [10][11][12][13], was considered in works [8,9]. The aqueous alcohol solution is considered as a mixture of three components (substances): water, alcohol, and clusters formed by the alcohol and water molecules.…”

“…The third component is formed owing to the intermolecular interaction between water and alcohol molecules. In works [8,9], a relation was obtained for the density and the clustering degree of so-lutions, if some amount of alcohol is added to water [8] or some water is added to alcohol [9].…”

“…In this work, a generalization of the approach used in works [8,9] to a wider group of the aqueous solutions of monohydric alcohols is considered.…”