A model for the adsorption of dimers at a surface is presented. The model is based on a generalization of the Ono-Kondo lattice theory. The densities of dimer molecules that are parallel to the surface, x parallel, and perpendicular to the surface, x perpendicular, are calculated. It is shown that s
Adsorption of Amphiphilic Dimers at Surfaces
β Scribed by D.-W. Wu; G.L. Aranovich; M.D. Donohue
- Publisher
- Elsevier Science
- Year
- 2000
- Tongue
- English
- Weight
- 161 KB
- Volume
- 230
- Category
- Article
- ISSN
- 0021-9797
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β¦ Synopsis
Adsorption of amphiphilic dimers is analyzed in the framework of density functional Ono-Kondo theory. There are three configurations for dimers absorbed at a surface: one parallel to the surface and two perpendicular to the surface (AB and BA, with A or B touching the surface, respectively). Densities of molecules in each configuration are calculated from density functional theory and compared to Monte Carlo simulation data. There is good agreement between theory and simulations. It is shown that the parallel configuration is preferred over the perpendicular configuration, except when there are very strong asymmetries in intermolecular forces. In most cases, the parallel configuration is even preferred over the combination of the two perpendicular configurations.
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