Rational approach for an optimized formulation of silver-exchanged zeolites for iodine capture from first-principles calculations
نویسندگان
چکیده
Ab initio calculations have been carried out to investigate in detail the effect of potential inhibiting species (CO, H 2 O, CH 3 Cl and ) on adsorption iodine (I I) silver-exchanged zeolites different Si/Al ratios structures.
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ژورنال
عنوان ژورنال: Molecular Systems Design and Engineering
سال: 2022
ISSN: ['2058-9689']
DOI: https://doi.org/10.1039/d1me00149c