Abstract:Molecular sieves have been widely used in the petrochemical industry as environment‐friendly catalysts. The pore structure is an important factor influencing the catalytic performance of the zeolite. In this work, a combined Our own N‐layered Integrated molecular Orbital and Molecular mechanics method was used to study the mechanism of propylene dimerization in four zeolites (ZSM‐5, BEA, MCM‐22, and MOR) with different pore structures. Comparing the stepwise mechanism and the concerted mechanism, it is found t… Show more
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