Table 2. Adsorption Energy (Eads) of Pure Gas Molecules on H-AlMOR and H-AlMOR-Py at 433 K, 0.2 MPa (Unit: kcal/mol).
| molecular model | CO |
DME |
MA |
H2O |
||||
|---|---|---|---|---|---|---|---|---|
| 8-MR | 12-MR | 8-MR | 12-MR | 8-MR | 12-MR | 8-MR | 12-MR | |
| Al-T1O7 | –5.46 | –3.32 | –11.65 | –8.85 | –14.25 | –12.25 | –4.95 | –2.35 |
| Al-T1O7-Py | –5.45 | –3.25 | –11.35 | –8.55 | –15.25 | –11.95 | –3.15 | –1.95 |
| Al-T2O2 | –5.45 | –3.35 | –11.65 | –8.65 | –14.45 | –12.35 | –4.95 | –2.25 |
| Al-T2O2-Py | –5.55 | –3.35 | –11.25 | –8.45 | –15.15 | –12.05 | –3.15 | –1.95 |
| Al-T3O1 | –5.55 | –3.35 | –11.35 | –8.75 | –14.95 | –12.25 | –4.75 | –2.25 |
| Al-T3O1-Py | –5.55 | –3.35 | –10.85 | –8.35 | –15.05 | –12.15 | –3.15 | –2.05 |
| Al-T4O2 | –5.55 | –3.35 | –11.65 | –8.75 | –14.65 | –12.55 | –4.95 | –2.15 |
| Al-T4O2-Py | –5.55 | –3.35 | –11.25 | –8.55 | –14.95 | –12.15 | –3.15 | –2.05 |
| average Eads on H-AlMOR | –5.50 | –3.34 | –11.58 | –8.75 | –14.58 | –12.35 | –4.90 | –2.25 |
| average Eads on H-AlMOR-Py | –5.53 | –3.33 | –11.18 | –8.48 | –15.10 | –12.08 | –3.15 | –2.00 |