Polymer melts on solid surfaces

A. DE VIRGILIIS; A. MILCHEV; TH. VILGIS

Darmstadt, Alemania

Conferencia; International Bunsen Discussion Meeting on Polymer Interfaces: Science & Technology; 2009

A polymer melt made of linear, non-entangled chains is studied by means of moleculardynamics simulations of a bead and spring model. The system is put in contact with a solidwall consisting of a layer of atoms occupying the sites of a triangular lattice. This wall exertsan attractive potential on every monomer in such a way that a polymer film limited by thewall on the bottom and a free interface on the top is equilibrated.Structural and dynamical properties of the polymer melt are obtained, as a function of thedistance to the wall, z. Profiles for the monomer density, radius of gyration (both parallel andperpendicular), and bond length are described. Also the dependence of the monomermobilities on z is presented, that shows a strong influence of the wall potential. Implicationsof these effects on the transport properties of the melt are briefly discussed.