Wetting in Associating Lattice Gas Model Confined by Hydrophilic Walls

Through Monte Carlo simulations and the Associating Lattice Gas Model, the phases of a two-dimensional fluid under hydrophilic confinement are evaluated. The model, in its unconfined version, reproduces the anomalous behavior of water regarding its density, diffusion, and solubility, among other dyn...

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Bibliographic Details
Published in:arXiv.org 2024-09
Main Authors: Fonseca, Tássylla O, Mendonça, Bruno H S, de Moraes, Elizane E, de Oliveira, Alan B, Barbosa, Marcia C
Format: Article
Language:English
Subjects:
Bulk density
Confinement
Diffusion layers
Hydrophilicity
Monte Carlo simulation
Phase transitions
Thermodynamic properties
Wetting
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Summary:Through Monte Carlo simulations and the Associating Lattice Gas Model, the phases of a two-dimensional fluid under hydrophilic confinement are evaluated. The model, in its unconfined version, reproduces the anomalous behavior of water regarding its density, diffusion, and solubility, among other dynamic and thermodynamic properties. Extreme confinements suppress phase transitions since fluctuations suppress ordering. The fluid under hydrophilic confinement forms a single wetting layer that gradually wets the wall. From the wetting layer, the low-density liquid structure is formed. The confined fluid presents a first-order liquid-liquid transition, but always at lower temperatures than that observed in the bulk.
ISSN:2331-8422