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• W2790687106 abstract "Hitherto, boric is suggested and used as a promoter or catalyst for carbon dioxide capture in various chemical absorption reactions, such as, absorption by aqueous potassium carbonate solution to increase mass transfer rate. But in this study, a single step termolecular reaction mechanism is suggested for the chemical absorption of carbon dioxide directly by boric acid and water. The reaction thermochemistry and reaction kinetics for termolecular mechanism are investigated by using density functional theory calculations at the B3LYP/6-31G(d) level of theory by taking into account of the implicit solvent effects of water through the polarizable continuum model and dispersion corrections. The findings obtained from theoretical calculations indicate that it is possible to capture carbon dioxide with boric acid in the form of B(OH) 2 OCOOH." @default.
• W2790687106 created "2018-03-29" @default.
• W2790687106 creator A5029841786 @default.
• W2790687106 date "2018-03-25" @default.
• W2790687106 modified "2023-10-17" @default.
• W2790687106 title "Theoretical investigation of carbon dioxide capture by aqueous boric acid solution: A termolecular reaction mechanism" @default.
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• W2790687106 doi "https://doi.org/10.30728/boron.334948" @default.
• W2790687106 hasPublicationYear "2018" @default.
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