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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 19: Poster: Interfaces and Thin Films

CPP 19.12: Poster

Dienstag, 15. März 2011, 18:00–20:00, P2

Atomistic Study of Substrate Effect on Polyelectrolyte Adsorption: Poly(Styrene Sulfonate) Monolayer — •Baofu Qiao, Juan Cerda, and Christian Holm — Institute for Computational Physics, University Stuttgart

All-atom level simulations are preformed to investigate the adsorption of polyelectrolytes, for the first time, onto different (hydrophobic vs. hydrophilic) adsorbing substrate, accompanied by a varied surface charge density. In the present work, poly(styrene sulfonate) (PSS) is employed. It shows that the exclusive presence of the short-range wall potential of van der Waals origin is strong enough to form a PSS adsorption layer. Two kinds of conformations of adsorbed PSS chains are observed. The "laying" PSS chains (flat adsorption layer) dominate, with some PSS chains "dangling" into the above solution, which is consistent with a previous experimental work (S. Block and C. A. Helm, J. Phys. Chem. B 2008, 112, 9318.).