Semiflexible Polymers Interacting with Planar Surfaces: Weak versus Strong Adsorption

Semiflexible polymers bound to planar substrates by a short-range surface potential are studied by Molecular Dynamics simulations to clarify the extent to which these chain molecules can be considered as strictly two-dimensional. Applying a coarse-grained bead-spring model, the chain length N and stiffness [Formula: see text] as well as the strength of the adsorption potential [Formula: see text] are varied over a wide range. The excluded-volume (EV) interactions inherent in this model can also be “switched off” to provide a discretized version of the Kratky–Porod wormlike chain model. We study both local order parameters (fraction f of monomers within the range of the potential, bond-orientational order parameter [Formula: see text]) and the mean square gyration radius parallel, [Formula: see text] , and perpendicular, [Formula: see text] , to the wall. While for strongly adsorbed chains EV has negligible effect on f and [Formula: see text] , we find that [Formula: see text] is strongly affected when the chain contour length exceeds the persistence length. Monomer coordinates in perpendicular (⊥) direction are correlated over the scale of the deflection length which is estimated. It is found that [Formula: see text] , and [Formula: see text] converge to their asymptotic values with [Formula: see text] corrections. For both weakly and strongly adsorbed chains, the distribution functions of “loops”, “trains”, and “tails” are analyzed. Some consequences pertaining to the analysis of experiments on adsorbed semiflexible polymers are pointed out.