SELECTIVE OXIDATION OF METHANE TO METHANOL OVER CATALYTIC Fe-ZSM-5 ZEOLITE: A DFT (M06-L) STUDY

摘要

Zeolites are outstanding solid catalysts for their activity and selectivity.1-6 They are of tremendous interest for their exceptional range of applications for adsorption, separation and catalysis zeolite supported metal oxide catalysts provide high activity for nitrous oxide decomposition and methane oxidation. 7-8 With metal oxide modified zeolite such as Fe-Zeolite7-9 and Cu-Zeolite, 10-12 the conversion of methane to methanol can occur. For example, Fe- ZSM-5 as the catalyst has been used for methane to methanol with nitrous oxide as an oxidant. 7-8 Subsequently, nitrous oxide decomposition under high temperature generates the highly selective and active surface oxygen or a-oxygen. The a-oxygen is used for oxidation of methane to produce methanol at room temperature. 13-14