Diffusion dependence of the dual-cycle mechanism for MTO reaction inside ZSM-12 and ZSM-22 zeolites
The “dual-cycle” pathway (ie, olefin-based cycle and aromatic-based cycle) of methanol-to-
olefin (MTO) has been generally accepted as hydrocarbon pool mechanism. Understanding
the role of diffusion of reactant, intermediate, and product in the MTO process is essential in
revealing its reaction mechanism. By using molecular dynamics (MD) simulations for two
one-dimensional zeolites (ZSM-12 and ZSM-22) with a channel difference being only 0.3 Å
in pore size, the diffusion behaviors of some representative species following “dual-cycle” …
olefin (MTO) has been generally accepted as hydrocarbon pool mechanism. Understanding
the role of diffusion of reactant, intermediate, and product in the MTO process is essential in
revealing its reaction mechanism. By using molecular dynamics (MD) simulations for two
one-dimensional zeolites (ZSM-12 and ZSM-22) with a channel difference being only 0.3 Å
in pore size, the diffusion behaviors of some representative species following “dual-cycle” …
[引用][C] Diffusion Dependence of the Dual-Cycle Mechanism for MTO Reaction Inside ZSM-12 and ZSM-22 Zeolites
L Zhiqiang, C Yueying, T Xiaomin, H Ling… - 2017
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