Binary mixture adsorbed in a slit pore: Field-induced population inversion near the bulk instability

Brunet, C.; Malherbe, J. G.; Amokrane, S.

doi:10.1103/physreve.82.021504

Cited by 13 publications

(35 citation statements)

References 63 publications

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“…The field effect in this type of system has been studied for one component fluids [10,11] where it was found to gradually increase the fluid density within the pore moderately. A stronger field effect was found by Brunet et al [12,13] who studied mixtures. They observed that if the mixture has a demixing instability and one of the components is dipolar, the coupling to the external field leads to a pore filling transition which allows a sensitive control of the pore composition.…”

Section: Introductionmentioning

confidence: 60%

“…The mechanism we describe should be applicable for a broad class of one-component systems, including molecular fluids and colloidal suspensions. In fact, a nonuniform field should promote phase separation in any dipolar system with an inherent bistable nature [5,6,12,13]. We therefore believe that the study of fluids in nonuniform fields merits further experimental and theoretical attention.…”

Section: Discussionmentioning

confidence: 95%

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Vapor-liquid coexistence of the Stockmayer fluid in nonuniform external fields

2013

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We investigate the structure and phase behavior of the Stockmayer fluid in the presence of nonuniform electric fields using molecular simulation. We find that an initially homogeneous vapor phase undergoes a local phase separation in a nonuniform field due to the combined effect of the field gradient and the fluid vapor-liquid equilibrium. This results in a high-density fluid condensing in the strong field region. The system polarization exhibits a strong field dependence due to the fluid condensation.

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Section: Introductionmentioning

confidence: 60%

Section: Discussionmentioning

confidence: 95%

Vapor-liquid coexistence of the Stockmayer fluid in nonuniform external fields

2013

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“…Since colloidal particles are also often polar or polarizable, the combination of geometrical confinement and the action of an external field offers then a unique way to control their behavior in confinement. In recent work, we have shown [5,6] this by Monte Carlo simulation for the simple model of a binary mixture of neutral and dipolar hard-spheres confined between two parallel hard-walls modeling a slit pore. We have shown that the composition of the adsorbed fluid can be controlled in a flexible way by applying an external field in the pore, at fixed thermodynamic state of the bulk fluid.…”

mentioning

confidence: 96%

“…Not having to rely on the subtle combination of specific interactions should also result in a robust method, feasible with simple components. This is why we choose to illustrate the basic mechanisms [5,6] on the simple mixture of neutral and dipolar hard-spheres and perfectly smooth planar walls. The physical situation closest to this model is then the adsorption of colloids, in contrast with molecular adsorption in which specific interactions should be considered.…”

mentioning

confidence: 99%

“…The main result we have obtained in refs. [5,6] is the possibility to produce, in the pore, a field induced population inversion when the bulk is near the demixing instability (referred to as the f-PINBI effect): we start from the situation of a pore in equilibrium with a bulk mixture having a tendency to demix and widely different concentrations of the two components; when the strength of the field applied in the pore region is varied, a jump in the adsorption of the minority component occurs. After a certain threshold value, the pore becomes filled with this species, while the former majority component simultaneously desorbs.…”

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confidence: 99%

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Mixture of neutral and dipolar-hard spheres confined in a slit pore: field-induced population inversion and demixing

Brunet,

Malherbe,

Amokrane

2011

Preprint

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We study by Monte Carlo simulation a binary mixture of neutral and dipolar hardspheres with non-additive diameters. With a view to understanding the interplay between population inversion for an open pore and the demixing phase transitions, the mixture is considered in the bulk and confined between two parallel hard-walls modeling a slit pore. A uniform field is applied in the pore in order to control its composition as shown previously. The demixing lines in the bulk and in the pore are studied by the Gibbs Ensemble Monte Carlo method. The open pore-bulk mixture equilibrium is studied by a combination of canonical/grand canonical simulations.A moderate electrostatic coupling is considered for remaining close to the conditions in which a jump in the adsorption of the minority species has been observed at zero field. Demixing lines are given in the bulk and for two different pore widths in parallel and normal fields, together with population inversion paths. Similarly to the effect of geometrical confinement, a normal field is found to favor the mixed state so that the population inversion does not interfere with demixing. A parallel field leads to more complex scenarios. Some indications for future work are briefly discussed. I. INTRODUCTIONFluid mixtures adsorbed in porous materials have been studied in the past decades with motivations ranging from technological problems to answering basic theoretical questions (see for e.g. [1,2]). Understanding the factors that regulate the behavior of the adsorbed fluid such as its composition, the adsorption geometry, the different interactions, etc. is thus of central importance. Among the various mixtures that are studied, colloidal ones

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Nanoscale Wetting Under Electric Field from Molecular Simulations

Daub

Bratko

Luzar

2011

Multiscale Molecular Methods in Applied Chemistry

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Applying an electric field is a well-established experimental method to tune surface wettability. As accessible experimental length scales become shorter, the modification of interfacial properties of water using electric field must come to grips with novel effects existing at the nanoscale. We survey recent progress in understanding these effects on water interfacial tension and on water-mediated interactions using molecular simulations. We highlight the key role of external conditions in determining the system's response to applied electric field. We further discuss the role of appropriate boundary conditions in modeling polar fluids subject to collective polarization. The work reviewed here broadens the basic understanding of applied and internal field effects that can operate in condensed phase systems, from modulating local hydrophilicity/hydrophobicity of engineered and biological surfaces, to surface manipulation in nanofluidic devices.

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Binary mixture adsorbed in a slit pore: Field-induced population inversion near the bulk instability

Cited by 13 publications

References 63 publications

Vapor-liquid coexistence of the Stockmayer fluid in nonuniform external fields

Vapor-liquid coexistence of the Stockmayer fluid in nonuniform external fields

Mixture of neutral and dipolar-hard spheres confined in a slit pore: field-induced population inversion and demixing

Nanoscale Wetting Under Electric Field from Molecular Simulations

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