Table 2. Correlation Coefficients (R2) for the Gas Uptakes Predicted by Dreiding and UFF.
| CO2 uptake (mol/kg) |
H2 uptake (mol/kg) |
N2 uptake (mol/kg) |
CH4 uptake (mol/kg) |
|||||
|---|---|---|---|---|---|---|---|---|
| 0.1 bar | 1 bar | 0.1 bar | 1 bar | 0.1 bar | 1 bar | 0.1 bar | 1 bar | |
| CO2/H2 | 0.9419 | 0.9177 | 0.9914 | 0.9952 | ||||
| CO2/N2 | 0.9403 | 0.9179 | 0.9268 | 0.9136 | ||||
| CO2/CH4 | 0.9408 | 0.8813 | 0.8404 | 0.9293 | ||||