Table 2 Lennard–Jones parameter used in GCMC simulation.
From: Simulation of gas adsorption on single-walled carbon nanotubes
Substance | Particle type | \(\varepsilon /{k}_{B} (K)\) | \(\sigma \,\) (Ă…) |
|---|---|---|---|
SWCNT | Carbon atom | 28.0 | 3.40 |
CO2 | Carbon atom | 28.1 | 2.76 |
Oxygen atom | 80.5 | 3.03 | |
O2 | Oxygen atom | 52.0 | 2.99 |
N2 | Nitrogen atom | 36.0 | 0.33 |
CH4 | Methane molecule | 148.1 | 3.73 |
H2 | Hydrogen molecule | 36.7 | 2.96 |
