Atomistic Modeling of Gas Adsorption in Nanocarbons
GCMC calculated isotherms for five cone structures of different sizes: 14.9 nm3 (a and c) and 29.9 nm3 (b and d). Plots (c) and (d) show the low fugacity (0–2 bar) details of (a) and (b) respectively. GCMC results for the bulk hydrogen at 77 K are shown as lines. From .