Computer simulations of the conformations of strongly adsorbed chains at the solid-liquid interface

We have utilized molecular dynamics simulations to critically study the conformation of isolated polymer chains adsorbed on surfaces in the presence of explicit solvent. The changes in conformations of the polymer chain in good solvent as it adsorbs onto a substrate is mapped. The quasi two-dimensional pancake conformation of a well adsorbed polymer chain is confirmed. The effect of wetting characteristics of the solvent on the adsorption transition of polymer chain is also studied. We found that a non-wetting solvent aids adsorption of the polymer chain even at low sticking energies compared to wetting solvent. (c) 2005 Published by Elsevier Ltd.