Critical surface adsorption of confined binary liquids with locally conserved mass and composition

Close to a solid surface, the properties of a fluid deviate significantly from their bulk values. In this context, we study the surface adsorption profiles of a symmetric binary liquid confined to a slit pore by means of molecular dynamics simulations; the latter naturally entails that mass and concentration are locally conserved. Near a bulk consolute point, where the liquid exhibits a demixing transition with the local concentration as the order parameter, we determine the order parameter profiles and characterise the relevant critical scaling behaviour, in the regime of strong surface attraction, for a range of pore widths and temperatures. The obtained order parameter profiles decay monotonically near the surfaces, also in the presence of a pronounced layering in the number density. Overall, our results agree qualitatively with recent theoretical predictions from a mesoscopic field-theoretical approach for the canonical ensemble.

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Publication Details

Journal
Molecular Physics
Published
2024-08-20
DOI
https://doi.org/10.1080/00268976.2024.2391998
Citations
4
Primary Topic
Material Dynamics and Properties
Type
article
Field-Weighted Citation Impact
0.47

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article

Critical surface adsorption of confined binary liquids with locally conserved mass and composition

Felix Höfling, Sutapa Roy
4 citations
Molecular Physics
Material Dynamics and Properties
0.47
article

Critical surface adsorption of confined binary liquids with locally conserved mass and composition

Felix Höfling, Sutapa Roy
article en
4 citations

Abstract

Close to a solid surface, the properties of a fluid deviate significantly from their bulk values. In this context, we study the surface adsorption profiles of a symmetric binary liquid confined to a slit pore by means of molecular dynamics simulations; the latter naturally entails that mass and concentration are locally conserved. Near a bulk consolute point, where the liquid exhibits a demixing transition with the local concentration as the order parameter, we determine the order parameter profiles and characterise the relevant critical scaling behaviour, in the regime of strong surface attraction, for a range of pore widths and temperatures. The obtained order parameter profiles decay monotonically near the surfaces, also in the presence of a pronounced layering in the number density. Overall, our results agree qualitatively with recent theoretical predictions from a mesoscopic field-theoretical approach for the canonical ensemble.

Molecular PhysicsVol. 122(21-22)
University of Milan (IT), Zuse Institute Berlin (DE), Freie Universität Berlin (DE)
Deutsche Forschungsgemeinschaft, Freie Universität Berlin
Openalex Percentile: Top 39%
Material Dynamics and Properties
0.47
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