Modeling of homogeneous tin speciation u
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Yu Qiao; Minghou Xu; Hong Yao; Chen Wang; Xun Gong; Hanping Chen; Laicai Li
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Article
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2007
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Wiley (John Wiley & Sons)
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English
โ 132 KB
## Abstract In this work, __ab initio__ molecular orbital methods were employed to study the reaction mechanisms of the oxidation of tin (Sn) with different oxidants, including O~2~, CO~2~, HOCl, HCl, ClO, ClO~2~ and NO~3~, during coal combustion. Eleven key reaction pathways were identified. Altho