Density-functional description of water condensation in proximity of nanoscale asperity
We apply nonlocal density-functional formalism to describe an equilibrium distribution of the waterlike fluid in the asymmetric nanoscale junction presenting an atomic force microscope tip dwelling above an arbitrary surface. The hydrogen bonding dominating in intermolecular attraction is modeled as...
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Veröffentlicht in: | The Journal of chemical physics 2005-08, Vol.123 (8), p.084705-084705 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | We apply nonlocal density-functional formalism to describe an equilibrium distribution of the waterlike fluid in the asymmetric nanoscale junction presenting an atomic force microscope 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 liquid meniscus formed inside the 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 nonuniform external electric field. |
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ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/1.2007632 |