Chain-Length Effects on Conformations of Methyl Methacrylate-Oligomer Thin Films on an Au(111) Substrate
Molecular dynamics simulations were employed to investigate chain-length effects on conformations of methyl methacrylate (MMA)-oligomer thin films on an Au(111) substrate. Some observations were obtained from the present research. For short chain films, there is a sharp peak in the
density profile of the MMA monomers for the adsorption region and the thin films exhibit a flattened conformation in the adsorption and the surface regions. For long chain films, however, there is no sharp peak in the whole density profile and a snake-like conformation appears in the adsorption
region, which shrinks and convolutes gradually in the bulk region and even more in the surface region of the thin film.
Keywords: DENSITY PROFILES; MD SIMULATIONS; MEAN SQUARE RADII OF GYRATION
Document Type: Research Article
Publication date: 01 February 2009
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