Phase behaviour of a fluid in slit-like pores with differently adsorbing walls: application of a density functional approach

Zagórski, R.; Patrykiejew, A.; Sokołowski, Stefan

doi:10.1088/0953-8984/14/2/304

Cited by 7 publications

(3 citation statements)

References 18 publications

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“…This effect is quite similar to that observed for single-component fluids [13,14]. The occurrence of the layering is the first qualitative difference in the thermodynamic behavior of the two systems in question.…”

Section: Resultssupporting

confidence: 82%

“…Therefore, it is of interest to investigate the pore models in which the adsorbing properties of the walls change from identical to opposing. In our recent papers we have investigated the adsorption of single-component fluids in slitlike pores with differently adsorbing walls [13,14]. Using lattice as well as off-lattice models we have observed that when the adsorption energy due to one wall is gradually weakened, a single coexistence envelope, which describes capillary condensation in a pore with two identical walls, splits into several, layeringlike branches.…”

Section: Introductionmentioning

confidence: 99%

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Phase behavior of a binary symmetric mixture in slitlike pores with opposing walls: Application of density functional approach

Patrykiejew

Pizio²,

Sokołowski

et al. 2004

Phys. Rev. E

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We study adsorption of a symmetric binary Lennard-Jones mixture, which exhibits partial mixing in a bulk phase, in slitlike pores formed by the walls having antisymmetric properties with respect to the components. The calculations are carried out by means of a density functional approach. We show that under suitable conditions the pore filling may occur as a sequence of two first-order transitions. The capillary condensation may lead to an "antisymmetric" liquidlike film, the symmetry of which follows the symmetry of the adsorbing potential, or to a "demixed" film, the symmetry of which is only weakly associated with the symmetry of the adsorption potential. The additional first-order antisymmetric-demixed film transition begins at the triple point temperature and ends at the critical end point temperature.

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Section: Resultssupporting

confidence: 82%

Section: Introductionmentioning

confidence: 99%

Phase behavior of a binary symmetric mixture in slitlike pores with opposing walls: Application of density functional approach

Patrykiejew

Pizio²,

Sokołowski

et al. 2004

Phys. Rev. E

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“…Henderson and Sokolowski examined the phase behavior of a Lennard-Jones (LJ) fluid confined in spherical cavities and found a shifted transition toward lower density in a smaller cavity. Zgorski et al calculated the phase behavior of a LJ fluid in a slitlike pore and found that the change in the interaction with surface can lead to a substantial change in the phase behavior compared to the bulk fluid. Salinger and Frink , presented three algorithms for the rapid analysis of phase behavior of confined fluids, with a detailed case study in disordered porous media.…”

Section: Introductionmentioning

confidence: 99%

Capillary Phase Transitions of Linear and Branched Alkanes in Carbon Nanotubes from Molecular Simulation

Jiang

Sandler

2006

Langmuir

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Capillary phase transitions of linear (from C(1) to C(12)) and branched (C(5) isomers) alkanes in single-walled carbon nanotubes have been investigated using the gauge-cell Monte Carlo simulation. The isotherm at a supercritical temperature increases monotonically with chemical potential and coincides with that from the traditional grand canonical Monte Carlo simulation, whereas the isotherm at a subcritical temperature exhibits a sigmoid van der Waals loop including stable, metastable, and unstable regions. Along this loop, the coexisting phases are determined using an Maxwell equal-area construction. A generic confinement effect is found that reduces the saturation chemical potential, lowers the critical temperature, increases the critical density, and shrinks the phase envelope. The effect is greater in a smaller diameter nanotube and is greater in a nanotube than in a nanoslit.

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Statistical Surface Thermodynamics

Patrykiejew

Sokołowski

Pizio

2016

Surface and Interface Science

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Phase behaviour of a fluid in slit-like pores with differently adsorbing walls: application of a density functional approach

Cited by 7 publications

References 18 publications

Phase behavior of a binary symmetric mixture in slitlike pores with opposing walls: Application of density functional approach

Phase behavior of a binary symmetric mixture in slitlike pores with opposing walls: Application of density functional approach

Capillary Phase Transitions of Linear and Branched Alkanes in Carbon Nanotubes from Molecular Simulation

Statistical Surface Thermodynamics

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