The present work prepared a novel BiMgO-2MBD (X = 0.42) material for iodine vapor capture in temperature conditions related to spent nuclear fuel reprocessing and nuclear accidents. BiMgO-2MBD (X = 0.
View Article and Find Full Text PDFThis work studies the molecular reaction and dynamic mechanism of iodate reduction by nitrogen(III) in aqueous solution using the molecular dynamics (AIMD) method based on density functional theory (DFT). Two possible reaction pathways (without and with H) are proposed. The thermodynamic parameters of the proposed reaction pathways are calculated.
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