Density functional description of water condensation in proximity of nanoscale asperity
We apply non-local density functional formalism to describe an equilibrium distribution of the water-like fluid in the asymmetric nanoscale junction presenting an atomic force microscope (AFM) tip dwelling above an arbitrary surface. The hydrogen bonding dominating in intermolecular attraction is mo...
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Zusammenfassung: | We apply non-local density functional formalism to describe an equilibrium
distribution of the water-like fluid in the asymmetric nanoscale junction
presenting an atomic force microscope (AFM) tip dwelling above an arbitrary
surface. The hydrogen bonding dominating in intermolecular attraction is
modeled as a square well potential with two adjustable parameters (energy and
length) characterizing well's depth and width. A water meniscus formed inside
nanoscale junction is explicitly described for different humidity. Furthermore,
we suggest a simple approach using polymolecular adsorption isotherms for the
evaluation of an energetic parameter characterizing fluid (water) attraction to
substrate. This model can be easily generalized for more complex geometries and
effective intermolecular potentials. Our study establishes a framework for the
density functional description of fluid with orientational anisotropy induced
by non-uniform external electric field. |
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DOI: | 10.48550/arxiv.physics/0504028 |