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Mesoscopic Hamiltonian for the fluctuations of adsorbed Lennard-Jones liquid films

AuthorsFernández, Eva M. ; Chacón, Enrique ; Macdowell, Luis G.; Tarazona, Pedro
Issue Date19-Jun-2015
PublisherAmerican Physical Society
CitationPhysical Review - Section E - Statistical Nonlinear and Soft Matter Physics 91(6): 062404 (2015)
AbstractWe 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.
Publisher version (URL)https://doi.org/10.1103/PhysRevE.91.062404
Identifiersdoi: 10.1103/PhysRevE.91.062404
e-issn: 1550-2376
issn: 1539-3755
Appears in Collections:(ICMM) Artículos
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