Modeling diffusion of adsorbed polymer with explicit solvent |
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Authors: | Desai Tapan G Keblinski Pawel Kumar Sanat K Granick Steve |
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Institution: | Department of Materials Science and Engineering, Rensselaer Polytechnic Institute, Troy, New York, USA. |
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Abstract: | 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. |
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