Table 6. Calculated Apparent and Intrinsic Activation Energies and Experimental Apparent and Intrinsic Activation Energies in kJ mol–1 in Zeolites: FAU, AFI, MFI, MEL, CHA, AEI.
| simulation |
experiment |
|||||
|---|---|---|---|---|---|---|
| framework | T[K] | ΔHapp | ΔHint | Si/Al | ΔHapp | ΔHint |
| FAU (T1)(O4) | 823 | 181 | 207 | 2.6, 3.3, 3.6 | 201, 179, 169 | 231, 209, 19953 |
| FAU (T1)(O1) | 823 | 172 | 197 | 2.6, 3.3, 3.6 | 201, 179, 169 | 231, 209, 19953 |
| AFI (T1)(O2) | 773 | 170 | 206 | |||
| MFI (T12)(O25) | 773 | 161 | 201 | 35 | 149 ± 10 | 192 ± 1054 |
| MEL (T4)(O1) | 773 | 164 | 207 | |||
| CHA (T1)(O1) | 773 | 164 | 193 | 12 | 164 | 20055 |
| AEI (T1)(O4) | 773 | 165 | 195 | |||