Determination of the space between closed multiwalled carbon nanotubes by GCMC simulation of nitrogen adsorption

We present a new determination method of the porosity created by the adsorption space between closed multiwalled carbon nanotubes. Using the grand canonical Monte Carlo (GCMC) simulation of nitrogen adsorption at 77 K and applying the “Karolina” algorithm, local isotherms were simulated for different distances between parallel nanotubes and finally the equation of the global adsorption isotherm was solved. This methodology leads to a satisfactory description of the experimental nitrogen adsorption data showing that the distance between nanotubes is in the range between 4 and 14 nm.

Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slide