| 초록 |
Polymer/layered silicate nanocomposite has attracted considerable attentions as a method of enhancing polymer properties and extending the utility. Moreover, it is a good model for studying the static and dynamic behavior of polymer melt in the confined space. However, it is not easy to directly observe such behavior by experimental methods. In this work, we use Molecular Dynamics simulation to investigate the behavior of polymer melt in the silicate gallery. To model polymer and brushed layer, the coarse-grained model is employed. As an initial structure, the equilibrium states of intercalation for various conditions are obtained using NPT MD. Subsequently, the upper layer is endowed with steady or oscillatory shear by NVT MD. From the simulation results, it is observed that the normal force increases as the shear rate increases. However, as the shear rate further increases above the critical rate, the normal force rather decreases. This behavior is shown to be closely related to the arrangement and orientation of brush and polymer chains in the gallery. |
