Coadsorption of Nitriles and Co On Cu-Zsm-5: An In Situ FTIR Spectroscopic Study
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چکیده
منابع مشابه
A Density Functional Theory Study of the Interactions of H2O with H-ZSM-5, Cu-ZSM-5, and Co-ZSM-5
The interactions of water with H-ZSM-5, Cu-ZSM-5, and Co-ZSM-5 have been investigated by density functional theory (DFT). Calculations were also performed to determine the thermodynamics of metal removal from the zeolite. For all three forms of ZSM-5, water adsorbs by direct interaction of the O atom with the cation and hydrogen bonding of one of the two H atoms with an oxygen atom in the zeoli...
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15 صفحه اولAdsorption of carbon monoxide in H-ZSM-5 and Li-ZSM-5 zeolites: an embedded ab initio cluster study
The absorption of carbon monoxide with H-ZSM-5 and metal-substituted Li-ZSM-5 zeolites has been investigated by Ž . using both cluster and embedded cluster approaches at the HFr6–31G d,p level of theory. For the H-ZSM-5 zeolite, the binding energy of CO on a 3T quantum cluster is predicted to be 2.25 kcalrmol for the C-bound complex. The O-bound complex was found to be less stable by about 0.84...
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ژورنال
عنوان ژورنال: MRS Proceedings
سال: 1996
ISSN: 0272-9172,1946-4274
DOI: 10.1557/proc-431-153