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- W2358702982 abstract "The thermodynamics of methane partial oxidation to methyl bisulfate in oleum was studied according to the density functional theory(DFT).The stable structures of potential compounds in sulfuric acid were optimized by using DFT at the B3LYP / 6-31G(d) level with polarizable continuum model(PCM).Based on these,the thermodynamic properties of potential compounds in sulfuric acid were calculated and the possible reaction paths of methane partial oxidation to methyl bisulfate were discussed.The results show that the studied reaction paths of methane partial oxidation to methyl bisulfate in oleum are feasible,and the free SO3 in oleum plays a very important role." @default.
- W2358702982 created "2016-06-24" @default.
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- W2358702982 date "2012-01-01" @default.
- W2358702982 modified "2023-09-27" @default.
- W2358702982 title "Study on the Thermodynamics of Methane Partial Oxidation in Oleum" @default.
- W2358702982 hasPublicationYear "2012" @default.
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