Adsorption from aqueous solutions on opened carbon nanotubes—organic compounds speed up delivery of water from inside

Abstract

We report the results of first systematic studies of organicadsorption from aqueous solutions onto relatively long singlewalled carbon nanotubes (four tubes, in initial and oxidisedforms). Using molecular dynamics simulations (GROMACSpackage) we discuss the behaviour of tube–water as well astube–adsorbate systems, for three different adsorbates (benzene,phenol and paracetamol).