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Theoretical Study for Adsorption–Diffusion on H-MOR and Pyridine Pre-adsorbed H-MOR of Dimethyl Ether Carbonylation

[Image: see text] For dimethyl ether (DME) carbonylation, pyridine pre-adsorbed hydrogen mordenite (H-MOR) is beneficial to prolonging the catalyst life. The adsorption and diffusion behaviors on periodic models H-AlMOR and H-AlMOR-Py were simulated. The simulation was based on Monte Carlo and molec...

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Detalles Bibliográficos
Autores principales: Zhao, Jiabao, Qian, Weixin, Ma, Hongfang, Ying, Weiyong, Yuan, Peiqing, Zhang, Haitao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10285922/
https://www.ncbi.nlm.nih.gov/pubmed/37360492
http://dx.doi.org/10.1021/acsomega.3c02127