Table 4. Calculated Adsorption Enthalpies and Experimental Adsorption Enthalpies in kJ mol^–1 in Zeolites: FAU, AFI, MFI, MEL, CHA, AEI.

		simulation	experiment
framework	T[K]	ΔHads	Si/Al	ΔHads
FAU (T1)(O4)	323	–30	2.7	–3151
FAU (T1)(O1)	323	–33	2.7	–31
AFI (T1)(O2)	323	–39
MFI (T12)(O25)	323	–44	35	–4651
MEL (T4)(O1)	323	–47
CHA (T1)(O1)	313	–37	14	–3852
AEI (T1)(O4)	323	–35