Modeling diffusion of adsorbed polymer with explicit solvent.
Computer simulations of a polymer chain of length N strongly adsorbed at the solid-liquid interface in the presence of explicit solvent are used to delineate the factors affecting the N dependence of the polymer lateral diffusion coefficient, D(||). We find that surface roughness has a large influence, and D(||) scales as D(||) approximately N(-x), with x approximately 3/4 and x approximately 1 for ideal smooth and corrugated surfaces, respectively. The first result is consistent with the hydrodynamics of a "particle" of radius of gyration R(G) approximately N(nu) (nu=0.75) translating parallel to a planar interface, while the second implies that the friction of the adsorbed chains dominates. These results are discussed in the context of recent measurements.
Desai
Tapan G
TG
Department of Materials Science and Engineering, Rensselaer Polytechnic Institute, Troy, New York, USA.
Keblinski
Pawel
P
Kumar
Sanat K
SK
Granick
Steve
S