Table 3. Calculated Propane Adsorption Energies, ΔE(BSSE), and BSSE Corrected Energies, ΔE, in kJ mol–1 in Zeolites: FAU, AFI, MFI, MEL, CHA, AEI.
| ΔE(BSSE) | ΔE | |
|---|---|---|
| FAU (T1)(O4) | –55 | –33 |
| FAU (T1)(O1) | –65 | –39 |
| AFI (T1)(O2) | –67 | –42 |
| MFI (T12)(O25) | –81 | –47 |
| MEL (T4)(O1) | –87 | –50 |
| CHA (T1)(O1) | –71 | –43 |
| AEI (T1)(O4) | –66 | –39 |