Abstract: International audience; The ability of Ag-exchanged mordenite (Ag-MOR)to capture iodine species such as I2 and CH3I as released for instance during a nuclear accident could be severely limited by the presence of volatile organic compounds (VOCs)that can disrupt their adsorption in the zeolite. Here, using density functional theory (DFT), we investigate in detail the adsorption process of several hydrocarbons (methane, cyclohexane, benzene, and 1,3-dimethylbenzene)and oxygenated compounds (methanol, ethanol, propan-2-ol and propanone)and compare...
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Topics: 
Inorganic chemistry
Organic chemistry