On some peculiarities of stratification of liquid solutions within pores of fractal shape

In analysis of phase transformations in small-volume systems, attention should be paid to some specific effects. Several peculiarities of stratification of liquid solutions within nano-sized pores in cases of the water-butanol-1 and water-phenol solutions have been investigated by methods of equilib...

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Bibliographic Details
Published in:Journal of molecular liquids 2019-03, Vol.278, p.363-367
Main Authors: Shishulin, Alexander V., Fedoseev, Victor B.
Format: Article
Language:English
Subjects:
Core-shell
Fractal dimension
Phase transitions
Pore
Size effect
Solubility
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Summary:In analysis of phase transformations in small-volume systems, attention should be paid to some specific effects. Several peculiarities of stratification of liquid solutions within nano-sized pores in cases of the water-butanol-1 and water-phenol solutions have been investigated by methods of equilibrium chemical thermodynamics. Those peculiarities are due to the influence of a pore's size and shape on mutual solubilities of the components inside. The pore size and shape have been modeled by its effective radius and fractal dimension which have been used as calculation parameters. Equilibrium compositions of co-existing phases have been obtained by finding the minima of the Gibbs function. The dependences of mutual solubilities on pore size and shape have turned out to be different in considered mixtures. In case of the water-butanol-1 solution, the solubility of water in butanol-1 and the solubility of butanol-1 in water both decrease with the decrease in the effective radius and fractal dimension. In the water-phenol solution, decreasing the effective radius can lead either to an increase or to a decrease in the solubility of water in phenol depending on the fractal dimension of a pore. In a certain range of fractal dimensions, the dependence of the solubility of water in phenol on the pore size is non-monotonous with an extremum. •Phase separation in stratifying liquid solutions within nanopores has been simulated.•A nanopore's shape has been modeled by its fractal dimension.•Mutual solubilities significantly depend on a pore's size and shape.•The dependences of mutual solubilities on a pore's shape can be non-monotonous.•The explanation is based on two mechanisms of lowering the surface energy.
ISSN:0167-7322
1873-3166
DOI:10.1016/j.molliq.2019.01.050