Density profiles for dimerizing fluid near a permeable surface

Henderson, Douglas; Trokhymchuk, Andrij; Pizio, Orest

doi:10.1016/0009-2614(95)01083-l

Cited by 12 publications

(2 citation statements)

References 25 publications

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“…4 The nonuniformity in a fluid can be caused by the presence of either impenetrable walls or of the walls being permeable to some (or all) species of the fluid mixture. [5][6][7] The investigation of the structure and thermodynamics of fluids near semipermeable surfaces, i.e., membranes, is of great importance for better understanding of the behavior of many physicochemical and biochemical systems. On the other hand these studies are also of interest in the construction of the theory of osmotic phenomena.…”

Section: Introductionmentioning

confidence: 99%

Lennard-Jones Fluid Mixtures in Contact with Semipermeable Membranes. A Density Functional Approach

Bryk¹,

Sokołowski²,

Pizio

1999

J. Phys. Chem. B

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A density functional approach based on Kierlik-Rosinberg theory is applied to a two-component LennardJones mixture in contact with a selectively permeable membrane. The results of theoretical calculations are compared with the grand canonical ensemble Monte Carlo simulations. The density profiles obtained for temperatures higher than the critical temperature agree well with simulation data if the difference in the diameters of particles of two components is small. We have also obtained that the agreement between the theory and simulations is reasonable if the particles of the component that penetrates the membrane are twice larger than the particles of nonpenetrating component. For other diameter ratios and for the case when the density of the mixture is high, the theory disagrees with simulations. At temperatures lower than the critical temperature the theoretical density profiles also have been evaluated, and a possibility of multiple solutions of the density profile equation, corresponding to the existence of different phases, is discussed.

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Section: Introductionmentioning

confidence: 99%

Lennard-Jones Fluid Mixtures in Contact with Semipermeable Membranes. A Density Functional Approach

Bryk¹,

Sokołowski²,

Pizio

1999

J. Phys. Chem. B

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“…[1][2][3][4][5][6][7] Much of the past work has been based on the assumption of zero membrane thickness. Obviously, this is an idealization.…”

Section: Introductionmentioning

confidence: 99%

Simulation and density functional study of a simple membrane separating two restricted primitive model electrolytes

Boda

Henderson

Rowley

et al. 1999

The Journal of Chemical Physics

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Articles you may be interested inStructure of spherical electric double layers with fully asymmetric electrolytes: A systematic study by Monte Carlo simulations and density functional theory Temperature dependence of the double layer capacitance for the restricted primitive model of an electrolyte solution from a density functional approach A simple membrane, supporting charge densities 1 and 2 ϭϪ 1 on its inner and outer surfaces, is considered. In addition to the electrostatic potential, the membrane interacts with the surrounding fluid by a short range van der Waals-like potential. The fluid beyond the outer surface is a three-component restricted primitive electrolyte consisting of two cations and one anion. The membrane is impermeable to one of the cations so that the fluid in the membrane and beyond the inner surface is a two-component restricted primitive electrolyte. We use Monte Carlo simulations and density functional theory to study the density profiles of the electrolyte and the charge-electrostatic potential relationship for the membrane surfaces. Even though 2 ϭϪ 1 , the potentials on the membrane surfaces are not equal and opposite. We also study a membrane consisting of a single charged plane. For both models, the density functional results are in good agreement with the simulations.

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A Two-Dimensional Model for Equilibrium Partitioning of a Fluid Mixture through a Microporous Semipermeable Crystalline Membrane. A Monte Carlo Study

Millán-Malo¹,

Bryk

Duda³

et al. 1998

Journal of Colloid and Interface Science

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Density profiles for dimerizing fluid near a permeable surface

Cited by 12 publications

References 25 publications

Lennard-Jones Fluid Mixtures in Contact with Semipermeable Membranes. A Density Functional Approach

Lennard-Jones Fluid Mixtures in Contact with Semipermeable Membranes. A Density Functional Approach

Simulation and density functional study of a simple membrane separating two restricted primitive model electrolytes

A Two-Dimensional Model for Equilibrium Partitioning of a Fluid Mixture through a Microporous Semipermeable Crystalline Membrane. A Monte Carlo Study

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