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Título: | Mesoscopic Hamiltonian for the fluctuations of adsorbed Lennard-Jones liquid films |
Autor: | Fernández, Eva M. CSIC ORCID; Chacón, Enrique CSIC ORCID; MacDowell, Luis G.; Tarazona, Pedro | Fecha de publicación: | 19-jun-2015 | Editor: | American Physical Society | Citación: | Physical Review - Section E - Statistical Nonlinear and Soft Matter Physics 91(6): 062404 (2015) | Resumen: | We use Monte Carlo simulations of a Lennard-Jones fluid adsorbed on a short-range planar wall substrate to study the fluctuations in the thickness of the wetting layer, and we get a quantitative and consistent characterization of their mesoscopic Hamiltonian, H[ξ]. We have observed important finite-size effects, which were hampering the analysis of previous results obtained with smaller systems. The results presented here support an appealing simple functional form for H[ξ], close but not exactly equal to the theoretical nonlocal proposal made on the basis a generic density-functional analysis by Parry and coworkers. We have analyzed systems under different wetting conditions, as a proof of principle for a method that provides a quantitative bridge between the molecular interactions and the phenomenology of wetting films at mesoscopic scales. | Versión del editor: | https://doi.org/10.1103/PhysRevE.91.062404 | URI: | http://hdl.handle.net/10261/185073 | DOI: | 10.1103/PhysRevE.91.062404 | Identificadores: | doi: 10.1103/PhysRevE.91.062404 e-issn: 1550-2376 issn: 1539-3755 |
Aparece en las colecciones: | (ICMM) Artículos |
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