| 초록 |
Thin films of various polymethylenes (linear alkanes, branched alkanes, and the binary mixtures of linear alkanes) and various polymetacrylate systems are studied by molecular dynamics simulations using atomistic force fields. Our predictions of surface tensions of these systems are in good agreement with experimental values. Moreover, simulations of these systems show several interesting surface characteristics which can be tested by experiments. For example, methyl groups as the chain ends or side groups are predicted to be enriched at the surface, and the lower molecular weight species are preferentially segregated to the surface region. |
