Molekulární design funkčních nanostruktur na bázi vrstevnatých silikátů interkalovaných a povrchově modifikovaných vodivými polymery

Abstract

The aim of this thesis is study of the structure and stability of intercalated conductive polymer/layered silicate functional nanocomposites. Structural arrangement of polymer chains was investigated in the interlayer space of silicate matrix, on the layered silicate surface and on the edge of layered silicate under the various conditions using molecular mechanics methods. Modeling results indicate that interlayer cations are not completely exchanged and presence of polymer chains in the interlayer space is slightly energetically favored against presence on surface and edge of layered silicate. Detailed analysis of modeling results revealed different structural arrangement of polymer chains in the interlayer space and on the surface and edge of silicate too.