Simulation of the structure of organosilane film coatings
Résumé
Organosilane compounds are easily coated onto metal and oxide substrates to form protective coatings. In this contribution we consider the intrinsic stability of these films using the surfaces of iron to define 2-D arrangements of the molecules within a film. Molecular dynamics simulation is used to analyse the packing energy and structure of the resulting films for two example organosilane molecules differing in chain length. The longer chain is found to form structures with higher absolute values of the packing energy.
Origine : Fichiers produits par l'(les) auteur(s)
Loading...