Theory of zeolite catalysis
作者： R.A. van Santen , X. Rozanska
DOI: 10.1016/S0065-2377(01)28012-0
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摘要: Abstract The reactivity of acidic zeolites to the activation hydrocarbons is used illustrate different modeling approaches applied catalysis. Quantum-chemical calculations transition-state and ground-state energies can be determine elementary rate constants. But predict overall kinetics, quantum-mechanical studies have complemented with statistical methods compute adsorption isotherms diffusion constants as a function micropore occupation. relatively low turnover frequencies zeolite-catalyzed reactions compared superacid-catalyzed are due mainly high proton-activated reactions. These values counteracted by significant interaction zeolite wall dominated van der Waals interactions.
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