Influence of zeolite pore structure on catalytic reactivity

On the Temperature Dependence of the Arrhenius Activation Energy for Hydroisomerization Catalyzed by Pt/Mordenite

“…Details about the simulation will be presented elsewhere (7). It was shown previously that it accurately describes the overall rate of hydroisomerization of n-hexane under a wide range of conditions and on different zeolites (7,8). This validated model is used to accurately simulate the kinetics of a Pt/H-mordenite catalyst as a function of temperature and make a quantitative comparison between experiment and simulation possible.…”

Positron emission imaging in catalysis

“…From steady-state experiments we deduced an activation energy of isomerization to iso-hexane of approximately 1354-20 kJ/mol [51]. The protonated, isomerized intermediate remains strongly adsorbed.…”

DRIFTS investigation and DFT calculation of the adsorption of CO on Pt/TiO2, Pt/CeO2 and FeOx/Pt/CeO2

“…DFT calculations are increasingly being applied to predict the interactions of adsorbates with catalytic sites [10]. Such DFT methods provided accurate geometries and reasonable energetics for molecules containing transition metals [11][12][13][14] are sufficient to describe the active sites in comparison of the predictions with experimental data.…”