An Adsorption Study of CH4 on ZSM-5, MOR, and ZSM-12 Zeolites
نویسندگان
چکیده
منابع مشابه
Adsorption 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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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 ...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry C
سال: 2015
ISSN: 1932-7447,1932-7455
DOI: 10.1021/acs.jpcc.5b09571