Self-organization of supramolecular microporous structures based on carbon nanotubes and benzene

Аннотация

The molecular dynamic has been used to study the self-organization of carbon nanotubes into an array in the presence of coordinating molecules. Methane adsorption on model systems has been calculated. It has been shown that secondary porosity formed by the nanotubes makes it possible to accumulate methane at the level of the best commercial adsorbents. Supramolecular systems have been synthesized on the basis of carbon nanotubes and benzene molecules used as coordinators according to a scheme realized in the numerical simulation. The specific adsorption of nitrogen at 293 K on the obtained supramolecular structure has been shown to increase by more than tenfold as compared with that on initial nanotubes.