| 초록 |
Effects of hydrodynamic interactions (HI) and surface roughness are important in dynamics of confined polymer solutions such as nanofluidics and thin films. We investigate a single polymer confined between two walls with separation distance, H. HI is considered in Molecular dynamics (MD) simulations with explicit solvents, but is ignored in Langevin dynamics (LD) simulations with implicit solvents. We also study how wall surface roughness influences the properties of the confined polymer by using smooth and corrugated walls. We find that static scaling changes from Rg~N0.6(3D) to Rg~N0.75(2D) as H decreases, regardless of HI and surface roughness. Rg is radius of gyration and N is degree of polymerization. We demonstrate that in the absence of HI, the diffusion coefficient, D of the confined polymer is independent of H and wall surface roughness. In contrast, in the presence of HI, D of the confined polymer decreases for corrugated walls and increases for smooth walls as H decreases |
