Molecular dynamics study of specific interactions in grafted polypropylene organomodified clay nanocomposite

Influence of polarity on the preferential intercalation behavior of clay in immiscible polypropylene/polystyrene blend

“…Different preferential intercalation capability possibly depend on the different affinity between polymer and clay. To evaluate the affinity between the polymeric matrix and the silicate layers, many methods were used, including rheological approach,18 calculating surface free energy,19 molecular dynamics simulation 20…”

Interfacial effects on the dynamics of ethylene–propylene copolymer nanocomposite with inorganic clays

“…One key factor in the fabrication of good polymer-clay nanocomposites is the capability of obtaining good dispersion of the individual silicate platelets in the matrix and a good adhesion between polymer molecules and the platelets. Several approach has been proposed to this scope such as the organo-modification of the silicate [13], the compatibilization of the polymer chain toward the inorganic component [14,15], the application of ac electric field [16], the development of the polymerization reaction in presence of the silicate [7,17]. Even though macroscopic characterizations of the materials obtained by the above procedures are reported, a true understanding of their effects on the properties of the polymer-MMT interfaces is still lacking.…”

Preparation Methods and Properties of Polypropylene/Layered Silicate Nanocomposites

“…These improved properties are resulted from the homogeneous dispersion of nano clay as filler and even with fewer demerits compared to conventional particulate filled composites [33]. Moreover, there has been a considerable progress in theory and simulations concerning the preparation and properties of these materials [34][35][36][37][38][39][40][41][42], and they are also considered to be unique model systems in order to study the structure and dynamics of polymers in confined environments [43][44][45][46][47][48][49][50][51][52].…”