Local silico-aluminophosphate interfaces within phosphated H-ZSM-5 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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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2014
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c3cp54791d