SKELETAL ISOMERIZATION OF 1-BUTENE TOISOBUTENE ON H-ZSM-5 ZEOLITE: A NEWLYDEVELOPED DENSITY FUNCTIONAL THEORYSTUDY

摘要

Isobutene is a raw material for the production of methyl tert-butyl ether (MTBE) and ethyl tert-butyl ether (ETBE), which is used as a potential additive in lead-free gasoline. Isobutene can be rearranged from the more abundant butene isomers, such as 1 -butene and 2-butene, via the skeletal isomerization catalyzed by nanoporous catalysts.Zeolites are considered to be one of the most promising catalysts due to their active and selective properties.