## Abstract The adsorption properties of oxalic acid molecules on the surface of hexagonal ice are investigated by means of molecular dynamics simulations performed at tropospheric temperatures. Although the oxalic acid–water interaction is strong at low coverage, due to the possible formation of a
Molecular Simulation of the Adsorption of Rod/Coil Blends on Nano-Patterned Surfaces
✍ Scribed by Abdullah Al Sunaidi
- Publisher
- John Wiley and Sons
- Year
- 2008
- Tongue
- English
- Weight
- 524 KB
- Volume
- 17
- Category
- Article
- ISSN
- 1022-1344
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✦ Synopsis
Abstract
The adsorption of rod/coil blends onto patterned surfaces with periodic stripes of width w was simulated using Monte‐Carlo methods. The rods and the coils were taken to be fused monomers of diameter σ, interacting with the stripes by a square‐well potential of depth ε and width σ. When the interaction was through excluded‐volume interactions only, we observed segregation of the components in the adsorbed layer. The adsorbed rods are strongly aligned along the stripe for w = σ, but lose their orientational order for larger w. When a repulsive interaction between the rods and the coils was introduced, an increase in the surface coverage of the rods with better recognition of the stripes was observed.
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