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Intrusion of fluids into nanogrooves

How geometry determines the shape of the gas-liquid interface

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Abstract.

We study the shape of gas-liquid interfaces forming inside rectangular nanogrooves (i.e., slit-pores capped on one end). On account of purely repulsive fluid-substrate interactions the confining walls are dry (i.e., wet by vapor) and a liquid-vapor interface intrudes into the nanogrooves to a distance determined by the pressure (i.e., chemical potential). By means of Monte Carlo simulations in the grand-canonical ensemble (GCEMC) we obtain the density ρ(z) along the midline (x = 0 of the nanogroove for various geometries (i.e., depths D and widths L of the nanogroove. We analyze the density profiles with the aid of an analytic expression which we obtain through a transfer-matrix treatment of a one-dimensional effective interface Hamiltonian. Besides geometrical parameters such as D and L , the resulting analytic expression depends on temperature T , densities of coexisting gas and liquid phases in the bulk ρg,l x and the interfacial tension γ . The latter three quantities are determined in independent molecular dynamics simulations of planar gas-liquid interfaces. Our results indicate that the analytic formula provides an excellent representation of ρ(z) as long as L is sufficiently small. At larger L the meniscus of the intruding liquid flattens. Under these conditions the transfer-matrix analysis is no longer adequate and the agreement between GCEMC data and the analytic treatment is less satisfactory.

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Authors and Affiliations

  1. Fakultät für Mathematik und Naturwissenschaften, Technische Universität Berlin, Straße des 17. Juni 135, 10623, Berlin, Germany

    H. Bohlen & M. Schoen

  2. Department of Mathematics, Imperial College, SW7 2BZ, London, UK

    A. O. Parry

  3. Departamento de Fısica, Universidad Autónoma Metropolitana-Iztapalapa, Apdo. Postal 55-534, 09340, México D.F., Mexico

    E. Dıaz-Herrera

Authors
  1. H. Bohlen
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  2. A. O. Parry
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  3. E. Dıaz-Herrera
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  4. M. Schoen
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Correspondence to M. Schoen.

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Bohlen, H., Parry, A.O., Dıaz-Herrera, E. et al. Intrusion of fluids into nanogrooves. Eur. Phys. J. E 25, 103–115 (2008). https://doi.org/10.1140/epje/i2007-10268-2

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  • DOI: https://doi.org/10.1140/epje/i2007-10268-2

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