Adsorption from aqueous solutions on opened carbon nanotubes--organic compounds speed up delivery of water from inside.
We report the results of first systematic studies of organic adsorption from aqueous solutions onto relatively long single walled carbon nanotubes (four tubes, in initial and oxidised forms). Using molecular dynamics simulations (GROMACS package) we discuss the behaviour of tube-water as well as tube-adsorbate systems, for three different adsorbates (benzene, phenol and paracetamol).
Terzyk
Artur P
AP
N. Copernicus University, Department of Chemistry, Physicochemistry of Carbon Materials Research Group, Gagarin St. 7, 87-100, Toruń, Poland. aterzyk@chem.uni.torun.pl
Gauden
Piotr A
PA
Furmaniak
Sylwester
S
Wesołowski
Radosław P
RP
Harris
Peter J F
PJ
Kowalczyk
Piotr
P