منابع مشابه
Structure of toluene6.4-ZSM-5 and the toluene disproportionation reaction on ZSM-5.
The structure of a high-loading complex of ZSM-5 with 6.4 toluene molecules per unit cell has been determined by single-crystal X-ray diffraction. At least three kinds of toluene molecules were identified in the unit cell. Two disordered toluene molecules were located at the intersection of the straight and sinusoidal channels, the third in the sinusoidal channel. One (TOL1) of the two toluene ...
متن کاملA 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...
متن کاملAdsorption 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...
متن کاملHigh-pressure cation-exchange treatment of a ZSM-5 zeolite
ZSM-5 zeolite is an aluminosilicate that usually has a high silica-to-alumina ratio. It contains two sets of nanopores. One set of nanopores is straight, with the cross-sectional size of 5.3 5.6 Å; the other set is Sshaped, with the cross-sectional size of 5.2 5.5 Å. An A1 atom at the center of an AlO4 tetrahedron connects to adjacent SiO4 tetrahedron by sharing an O atom and thus generates a n...
متن کاملConfined Carbon Mediating Dehydroaromatization of Methane over Mo/ZSM‐5
Non-oxidative dehydroaromatization of methane (MDA) is a promising catalytic process for direct valorization of natural gas to liquid hydrocarbons. The application of this reaction in practical technology is hindered by a lack of understanding about the mechanism and nature of the active sites in benchmark zeolite-based Mo/ZSM-5 catalysts, which precludes the solution of problems such as rapid ...
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ژورنال
عنوان ژورنال: Petroleum Chemistry
سال: 2022
ISSN: ['0965-5441', '1555-6239']
DOI: https://doi.org/10.1134/s0965544122070015