Computational studies of polymer nanocomposites from mineral clays
Polymer nanocomposites have attracted considerable interest and investment in research and development worldwide in the past decade. Clay minerals are regarded as promising precursors for nanoparticles due to their unique layered structure, rich intercalation chemistry and low cost. This project aims to investigate, by means of molecular modeling techniques, the fundamentals of organoclays and polymer nanocomposites, in particular, their interfacial molecular structure and interactions. Such fundamental understanding will provide a guideline for the surface modification of clays, the dispersion of clay platelets in the target polymer matrix as well as the design, manufacturing and property controlling of polymer nanocomposites.
