Rev.Adv.Mater.Sci.(RAMS)
No 5, Vol. 5, 2003, pages 413-419

POLYMERIC NANOCOMPOSITES: MOLECULAR MODELLING ASSESSMENT OF ORGANOPHILIC MOIETIES IN LAYERED SILICATES

Graziella Ranghino, Giorgio Giannotta, Gianluigi Marra and Riccardo Po

Polimeri Europa, S.p.A., Istituto Guido Donegani, Via Fauser 4, 28100 Novara, ITALIA

Abstract

Important among nanoscale structural materials are nanocomposites, in which the constituents are mixed on a nanometer-length scale. They often have properties that are superior to conventional microscale composites. The study of nanocomposite materials requires a multidisciplinary approach, involving novel chemical techniques and an understanding of physics and surface science. The present study uses molecular modelling to predict the behaviour of compatibilizers intercalated in the silicate matrix. The structure of the adduct is modelled and compared with the available X-ray and chemical data. A relationship between molecular volume and weight and the observed swelling of the layered structure is presented.

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