Calculation of the Adsorption Enthalpy

In the case of high-acid silica zeolites, Haag has experimentally shown [100] that for monomolecular cracking the apparent or observed activation energy, / obs, is the sum of the heat of adsorption, A//a, of the alkane and the intrinsic activation energy, Emt 

Applying the united-atom model for an n-alkane, the total average potential for the different geometries of the catalyst pore systems is given by [97] 

In view of the fact that the cracking process takes place at relatively low pressures and somewhat high temperatures [97], we do not consider the adsorbate-adsorbate interaction. The following equations define q, 2(L), q 2(rp), andq, 2 (R) [97]  

The Physical Chemistry of Materials Energy and Environmental Applications 

Afterward, with the help of the Kirkwood-Muller equation (see Section 6.9), it is possible to obtain the following equations to numerically describe q 2 (L), fa 2 (fP), and (R) [97] 

---

Calculation of the Adsorption Enthalpy of n-Paraffins in Nanoporous Crystalline and Ordered Acid Catalysts, and Its Relation with the Activation Energy of the Monomolecular Catalytic Cracking Reaction... 

Pursuing more realistic formulae for calculation of the adsorption enthalpy, we will incorporate the mixed adsorption entropy S /R. From Eqs. 5.42 and 5.70 it follows that the entropy change for the each partial adsorption isotherm is ... 

---